2-benzylsulfonyl-1H-benzimidazole
TL;DR: 2-benzylsulfonyl-1H-benzimidazole (CAS 100872-42-2) is a chemical compound with molecular formula C14H12N2O2S and molecular weight 272.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzylsulfonyl-1H-benzimidazole
Also Known As: 2-benzylsulfonyl-1H-benzimidazole, Benzimidazole, 2-(benzylsulfonyl)-, 2-(benzylsulfonyl)-1H-benzo[d]imidazole, 2-phenylmethanesulfonyl-1H-1,3-benzodiazole, ChemDiv2_003796
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H12N2O2S |
| Molecular Weight | 272.06195 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 71.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.06195 Da |
| Heavy Atoms | 19 |
| Complexity | 398.0 |
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)C2=NC3=CC=CC=C3N2 |
| InChIKey | CCNODZZYRVNSFO-UHFFFAOYSA-N |
Chemical Property Profile of 2-benzylsulfonyl-1H-benzimidazole
Property Insights of 2-benzylsulfonyl-1H-benzimidazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-benzylsulfonyl-1H-benzimidazole. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-benzylsulfonyl-1H-benzimidazole. Following Lipinski's Rule of Five, 2-benzylsulfonyl-1H-benzimidazole has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-benzylsulfonyl-1H-benzimidazole?
The CAS number of 2-benzylsulfonyl-1H-benzimidazole is 100872-42-2.
What is the molecular formula of 2-benzylsulfonyl-1H-benzimidazole?
The molecular formula of 2-benzylsulfonyl-1H-benzimidazole is C14H12N2O2S.
What is the molecular weight of 2-benzylsulfonyl-1H-benzimidazole?
The molecular weight of 2-benzylsulfonyl-1H-benzimidazole is 272.06195 g/mol.
Where can I buy 2-benzylsulfonyl-1H-benzimidazole?
You can request a quote for 2-benzylsulfonyl-1H-benzimidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-benzylsulfonyl-1H-benzimidazole?
Yes, CoreyChem provides custom synthesis services for 2-benzylsulfonyl-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.