1H-Benzimidazole-2-acetonitrile, 1-benzoyl-
TL;DR: 1H-Benzimidazole-2-acetonitrile, 1-benzoyl- (CAS 65715-00-6) is a chemical compound with molecular formula C16H11N3O and molecular weight 261.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzoylbenzimidazol-2-yl)acetonitrile
Also Known As: 1H-Benzimidazole-2-acetonitrile, 1-benzoyl-, 2-(1-benzoylbenzimidazol-2-yl)acetonitrile, BAS 00417099, 1H-Benzimidazole-2-acetonitrile,1-benzoyl, (1-Benzoyl-1H-benzoimidazol-2-yl)-acetonitrile
| Molecular Formula | C16H11N3O |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 2.79088 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.0902 |
| Heavy Atoms | 20 |
| Complexity | 812.6043 |
Chemical Identifiers
| CAS Number | 65715-00-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=C2CC#N |
Product Overview
1H-Benzimidazole-2-acetonitrile, 1-benzoyl- (CAS 65715-00-6), with molecular formula C16H11N3O and molecular weight 261.09 g/mol. IUPAC: 2-(1-benzoylbenzimidazol-2-yl)acetonitrile.
Chemical Property Profile of 1H-Benzimidazole-2-acetonitrile, 1-benzoyl-
Property Insights of 1H-Benzimidazole-2-acetonitrile, 1-benzoyl-
The XLogP value of 2.79088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzimidazole-2-acetonitrile, 1-benzoyl-. With a topological polar surface area (TPSA) of 58.68 Ų, 1H-Benzimidazole-2-acetonitrile, 1-benzoyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benzimidazole-2-acetonitrile, 1-benzoyl- has 0 hydrogen bond donor(s) and 3 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 1H-Benzimidazole-2-acetonitrile, 1-benzoyl-?
The CAS number of 1H-Benzimidazole-2-acetonitrile, 1-benzoyl- is 65715-00-6.
What is the molecular formula of 1H-Benzimidazole-2-acetonitrile, 1-benzoyl-?
The molecular formula of 1H-Benzimidazole-2-acetonitrile, 1-benzoyl- is C16H11N3O.
What is the molecular weight of 1H-Benzimidazole-2-acetonitrile, 1-benzoyl-?
The molecular weight of 1H-Benzimidazole-2-acetonitrile, 1-benzoyl- is 261.09 g/mol.
Where can I buy 1H-Benzimidazole-2-acetonitrile, 1-benzoyl-?
You can request a quote for 1H-Benzimidazole-2-acetonitrile, 1-benzoyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole-2-acetonitrile, 1-benzoyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole-2-acetonitrile, 1-benzoyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.