1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole
TL;DR: 1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole (CAS 732-20-7) is a chemical compound with molecular formula C11H11F3N2O2S and molecular weight 292.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazole
Also Known As: 1-Ethyl-2-methyl-5-[(trifluoromethyl)sulfonyl]-1H-benzimidazole, ChemDiv3_000561, 1-ethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazole, 1-ethyl-2-methyl-5-trifluoromethanesulfonyl-1H-1,3-benzodiazole, 1-Ethyl-2-methyl-5-(trifluoromethylsulphonyl)benzimidazole
| Molecular Formula | C11H11F3N2O2S |
|---|---|
| Molecular Weight | 292.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 60.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.04935 |
| Heavy Atoms | 19 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 732-20-7 |
|---|---|
| SMILES | CCN1C(=NC2=C1C=CC(=C2)S(=O)(=O)C(F)(F)F)C |
| InChIKey | DBDYZOLYNLUOAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole (CAS 732-20-7), with molecular formula C11H11F3N2O2S and molecular weight 292.05 g/mol. IUPAC: 1-ethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazole.
Chemical Property Profile of 1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole
Property Insights of 1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole. The TPSA of 60.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole. Following Lipinski's Rule of Five, 1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole?
The CAS number of 1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole is 732-20-7.
What is the molecular formula of 1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole?
The molecular formula of 1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole is C11H11F3N2O2S.
What is the molecular weight of 1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole?
The molecular weight of 1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole is 292.05 g/mol.
Where can I buy 1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole?
You can request a quote for 1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.