1-[(3,4-dichlorophenyl)methyl]imidazole
![1-[(3,4-dichlorophenyl)methyl]imidazole Structure](https://image.chemsrc.com/caspic/013/56643-72-2.png)
1-[(3,4-dichlorophenyl)methyl]imidazole structure
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Common Name | 1-[(3,4-dichlorophenyl)methyl]imidazole | ||
|---|---|---|---|---|
| CAS Number | 56643-72-2 | Molecular Weight | 227.09000 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C10H8Cl2N2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: 1-(3,4-Dichlorophenyl)imidazole, Chinese name: 1-[(3,4-二氯苯基)methyl]咪唑，CAS number: 56643-72-2，molecular formula: C10H8Cl2N2，molecular weight: 227.09000。For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-[(3,4-dichlorophenyl)methyl]imidazole |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C10H8Cl2N2 |
|---|---|
| Molecular Weight | 227.09000 |
| Exact Mass | 226.00600 |
| PSA | 17.82000 |
| LogP | 3.23820 |
| InChIKey | AYZFQKPOALRPNQ-UHFFFAOYSA-N |
| SMILES | Clc1ccc(Cn2ccnc2)cc1Cl |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~63%
1-[(3,4-dichlor... CAS#:56643-72-2 |
| Literature: Pandey, Jyoti; Tiwari, Vinod K.; Verma, Shyam S.; Chaturvedi, Vinita; Bhatnagar; Sinha; Gaikwad; Tripathi, Rama P. European Journal of Medicinal Chemistry, 2009 , vol. 44, # 8 p. 3350 - 3355 |
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~45%
1-[(3,4-dichlor... CAS#:56643-72-2 |
| Literature: Holzer, Wolfgang; Brandstaetter, Bettina; Jaeger, Christine; Kaun, Michael; Langer, Thierry; Bowen, Wayne D. Scientia Pharmaceutica, 2004 , vol. 72, # 3 p. 197 - 211 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
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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: Antimycobacterial activity against Mycobacterium tuberculosis H37Ra after 5 days by m...
Source: ChEMBL
Target: Mycobacterium tuberculosis
External Id: CHEMBL1061865
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Name: Antimycobacterial activity against Mycobacterium tuberculosis H37Rv by agar microdilu...
Source: ChEMBL
Target: Mycobacterium tuberculosis
External Id: CHEMBL1061864
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Name: Inhibition of rat microsomal 17-alpha-hydroxylase component of P450-17alpha
Source: ChEMBL
Target: Steroid 17-alpha-hydroxylase/17,20 lyase
External Id: CHEMBL866708
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Name: Inhibition of rat microsomal 17,20-lyase component of P450-17alpha
Source: ChEMBL
Target: Steroid 17-alpha-hydroxylase/17,20 lyase
External Id: CHEMBL866709
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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 1-[(3,4-dichlorophenyl)methyl]imidazole? |
| A: Polar surface area (PSA) of 1-[(3,4-dichlorophenyl)methyl]imidazole is 17.82000. |
| Q: What is the SMILES notation of 1-[(3,4-dichlorophenyl)methyl]imidazole? |
| A: SMILES notation of 1-[(3,4-dichlorophenyl)methyl]imidazole is Clc1ccc(Cn2ccnc2)cc1Cl. |
| Q: What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]imidazole? |
| A: InChIKey of 1-[(3,4-dichlorophenyl)methyl]imidazole is AYZFQKPOALRPNQ-UHFFFAOYSA-N. |
| Q: What is the LogP of 1-[(3,4-dichlorophenyl)methyl]imidazole? |
| A: LogP of 1-[(3,4-dichlorophenyl)methyl]imidazole is 3.23820. |
| Q: What is the molecular formula of 1-[(3,4-dichlorophenyl)methyl]imidazole? |
| A: Molecular formula of 1-[(3,4-dichlorophenyl)methyl]imidazole is C10H8Cl2N2. |
| Q: What is the CAS number of 1-[(3,4-dichlorophenyl)methyl]imidazole? |
| A: CAS number of 1-[(3,4-dichlorophenyl)methyl]imidazole is 56643-72-2. |
| Q: What is the molecular weight of 1-[(3,4-dichlorophenyl)methyl]imidazole? |
| A: Molecular weight of 1-[(3,4-dichlorophenyl)methyl]imidazole is 227.09000. |
| Q: What are the upstream materials of 1-[(3,4-dichlorophenyl)methyl]imidazole? |
| A: Related upstream materials(CAS) of 1-[(3,4-dichlorophenyl)methyl]imidazole: 288-32-4;18880-04-1;102-47-6. |
| Q: What is the English name of 1-[(3,4-dichlorophenyl)methyl]imidazole? |
| A: The English name of 1-[(3,4-dichlorophenyl)methyl]imidazole is 1-[(3,4-dichlorophenyl)methyl]imidazole. |
| Q: What is the Chinese name of 56643-72-2? |
| A: Chinese name of 56643-72-2 is 56643-72-2. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |