1-BENZYL-1H-BENZIMIDAZOLE-2-SULFONIC ACID
1-BENZYL-1H-BENZIMIDAZOLE-2-SULFONIC ACID structure
|
Common Name | 1-BENZYL-1H-BENZIMIDAZOLE-2-SULFONIC ACID | ||
|---|---|---|---|---|
| CAS Number | 90331-20-7 | Molecular Weight | 288.32200 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C14H12N2O3S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-benzylbenzimidazole-2-sulfonic acid |
|---|---|
| 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.
| Molecular Formula | C14H12N2O3S |
|---|---|
| Molecular Weight | 288.32200 |
| Exact Mass | 288.05700 |
| PSA | 80.57000 |
| LogP | 3.41210 |
| InChIKey | HGYLMBSADYHHGI-UHFFFAOYSA-N |
| SMILES | O=S(=O)(O)c1nc2ccccc2n1Cc1ccccc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~80%
1-BENZYL-1H-BEN... CAS#:90331-20-7 |
| Literature: Divaeva; Kuzmenko; Morkovnik; Komissarov Chemistry of Heterocyclic Compounds, 2006 , vol. 42, # 4 p. 463 - 468 |
|
~%
1-BENZYL-1H-BEN... CAS#:90331-20-7 |
| Literature: Popov, I. I.; Boroshko, S. L.; Tertov, B. A.; Makarov, S. P.; Simonov, A. M.; Simkin, B. Ya. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1987 , vol. 23, # 12 p. 1348 - 1352 Khimiya Geterotsiklicheskikh Soedinenii, 1987 , # 12 p. 1673 - 1677 |
|
~%
1-BENZYL-1H-BEN... CAS#:90331-20-7 |
| Literature: Popov, I. I.; Boroshko, S. L.; Tertov, B. A.; Makarov, S. P.; Simonov, A. M.; Simkin, B. Ya. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1987 , vol. 23, # 12 p. 1348 - 1352 Khimiya Geterotsiklicheskikh Soedinenii, 1987 , # 12 p. 1673 - 1677 |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
|
|
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
|
|
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
|
|
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
|
|
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
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-benzyl-1H-benzimidazole-2-sulfonic acid |
| 1-Benzyl-1H-benzoimidazole-2-sulfonic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 1-benzylbenzimidazole-2-sulfonic acid? |
| A: SMILES notation of 1-benzylbenzimidazole-2-sulfonic acid is O=S(=O)(O)c1nc2ccccc2n1Cc1ccccc1. |
| Q: What is the CAS number of 1-benzylbenzimidazole-2-sulfonic acid? |
| A: CAS number of 1-benzylbenzimidazole-2-sulfonic acid is 90331-20-7. |
| Q: What English synonyms does 1-benzylbenzimidazole-2-sulfonic acid have? |
| A: English synonyms of 1-benzylbenzimidazole-2-sulfonic acid: 1-benzyl-1H-benzimidazole-2-sulfonic acid, 1-Benzyl-1H-benzoimidazole-2-sulfonic acid. |
| Q: What is the English name of 1-benzylbenzimidazole-2-sulfonic acid? |
| A: The English name of 1-benzylbenzimidazole-2-sulfonic acid is 1-benzylbenzimidazole-2-sulfonic acid. |
| Q: What is the molecular weight of 1-benzylbenzimidazole-2-sulfonic acid? |
| A: Molecular weight of 1-benzylbenzimidazole-2-sulfonic acid is 288.32200. |
| Q: What is the polar surface area (PSA) of 1-benzylbenzimidazole-2-sulfonic acid? |
| A: Polar surface area (PSA) of 1-benzylbenzimidazole-2-sulfonic acid is 80.57000. |
| Q: What is the LogP of 1-benzylbenzimidazole-2-sulfonic acid? |
| A: LogP of 1-benzylbenzimidazole-2-sulfonic acid is 3.41210. |
| Q: What is the InChIKey of 1-benzylbenzimidazole-2-sulfonic acid? |
| A: InChIKey of 1-benzylbenzimidazole-2-sulfonic acid is HGYLMBSADYHHGI-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 1-benzylbenzimidazole-2-sulfonic acid? |
| A: Molecular formula of 1-benzylbenzimidazole-2-sulfonic acid is C14H12N2O3S. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |