1H-imidazol-2-yl-(4-methylphenyl)methanone
1H-imidazol-2-yl-(4-methylphenyl)methanone structure
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Common Name | 1H-imidazol-2-yl-(4-methylphenyl)methanone | ||
|---|---|---|---|---|
| CAS Number | 116997-22-9 | Molecular Weight | 186.21000 | |
| Density | 1.198g/cm3 | Boiling Point | 398.1ºC at 760 mmHg | |
| Molecular Formula | C11H10N2O | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 197.1ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1H-imidazol-2-yl-(4-methylphenyl)methanone |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.198g/cm3 |
|---|---|
| Boiling Point | 398.1ºC at 760 mmHg |
| Molecular Formula | C11H10N2O |
| Molecular Weight | 186.21000 |
| Flash Point | 197.1ºC |
| Exact Mass | 186.07900 |
| PSA | 45.75000 |
| LogP | 1.94910 |
| Vapour Pressure | 1.52E-06mmHg at 25°C |
| Index of Refraction | 1.603 |
| InChIKey | MWFUQWJSIBEMPW-UHFFFAOYSA-N |
| SMILES | Cc1ccc(C(=O)c2ncc[nH]2)cc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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1H-imidazol-2-y... CAS#:116997-22-9 |
| Literature: Sumitomo Pharmaceuticals Company, Limited Patent: EP1479384 A1, 2004 ; |
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1H-imidazol-2-y... CAS#:116997-22-9 |
| Literature: Ushiroda, Kantaro; Maruta, Katsunori; Takazawa, Takeshi; Nagano, Tomokazu; Taiji, Mutsuo; Kohno, Tetsuya; Sato, Yasuhiro; Horai, Shinji; Yanagi, Kazunori; Nagata, Ryu Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 7 p. 1978 - 1982 |
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1H-imidazol-2-y... CAS#:116997-22-9 |
| Literature: Katritzky, Alan R.; Rewcastle, Gordon W.; Fan, Wei-Qiang Journal of Organic Chemistry, 1988 , vol. 53, # 24 p. 5685 - 5689 |
![2-[hydroxy(4-methylphenyl)methyl]-N,N-dimethyl-1H-imidazole-1-sulfonamide structure](https://image.chemsrc.com/caspic/081/397329-13-4.png)
![1-[(DIMETHYLAMINO)METHYL]IMIDAZOLE structure](https://image.chemsrc.com/caspic/309/23230-39-9.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
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| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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Name: Absorbance-based primary biochemical high throughput screening assay to identify acti...
Source: The Scripps Research Institute Molecular Screening Center
Target: caspase-3 preproprotein [Homo sapiens]
External Id: PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| hms2211g16 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 1H-imidazol-2-yl-(4-methylphenyl)methanone? |
| A: Molecular weight of 1H-imidazol-2-yl-(4-methylphenyl)methanone is 186.21000. |
| Q: What is the LogP of 1H-imidazol-2-yl-(4-methylphenyl)methanone? |
| A: LogP of 1H-imidazol-2-yl-(4-methylphenyl)methanone is 1.94910. |
| Q: What is the SMILES notation of 1H-imidazol-2-yl-(4-methylphenyl)methanone? |
| A: SMILES notation of 1H-imidazol-2-yl-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ncc[nH]2)cc1. |
| Q: What is the molecular formula of 1H-imidazol-2-yl-(4-methylphenyl)methanone? |
| A: Molecular formula of 1H-imidazol-2-yl-(4-methylphenyl)methanone is C11H10N2O. |
| Q: What is the InChIKey of 1H-imidazol-2-yl-(4-methylphenyl)methanone? |
| A: InChIKey of 1H-imidazol-2-yl-(4-methylphenyl)methanone is MWFUQWJSIBEMPW-UHFFFAOYSA-N. |
| Q: What is the English name of 1H-imidazol-2-yl-(4-methylphenyl)methanone? |
| A: The English name of 1H-imidazol-2-yl-(4-methylphenyl)methanone is 1H-imidazol-2-yl-(4-methylphenyl)methanone. |
| Q: What is the CAS number of 1H-imidazol-2-yl-(4-methylphenyl)methanone? |
| A: CAS number of 1H-imidazol-2-yl-(4-methylphenyl)methanone is 116997-22-9. |
| Q: What is the polar surface area (PSA) of 1H-imidazol-2-yl-(4-methylphenyl)methanone? |
| A: Polar surface area (PSA) of 1H-imidazol-2-yl-(4-methylphenyl)methanone is 45.75000. |
| Q: What are the upstream materials of 1H-imidazol-2-yl-(4-methylphenyl)methanone? |
| A: Related upstream materials(CAS) of 1H-imidazol-2-yl-(4-methylphenyl)methanone: 397329-13-4;288-32-4;874-60-2;94-08-6;23230-39-9. |
| Q: What English synonyms does 1H-imidazol-2-yl-(4-methylphenyl)methanone have? |
| A: English synonyms of 1H-imidazol-2-yl-(4-methylphenyl)methanone: hms2211g16. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |