2-(2-Benzimidazolyl)-2-(2-chlorobenzoyl)acetonitrile
TL;DR: 2-(2-Benzimidazolyl)-2-(2-chlorobenzoyl)acetonitrile (CAS 62591-08-6) is a chemical compound with molecular formula C16H10ClN3O and molecular weight 295.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)-3-oxopropanenitrile
Also Known As: 2-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)-3-oxopropanenitrile, 2-(2-benzimidazolyl)-2-(2-chlorobenzoyl)acetonitrile, 2-(1H-1,3-benzodiazol-2-yl)-3-(2-chlorophenyl)-3-oxopropanenitrile, 2-(1H-benzo[d]imidazol-2-yl)-3-(2-chlorophenyl)-3-oxopropanenitrile, 660-675-8
| Molecular Formula | C16H10ClN3O |
|---|---|
| Molecular Weight | 295.05 g/mol |
| LogP | 3.70638 |
| Topological Polar Surface Area | 69.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.05124 |
| Heavy Atoms | 21 |
| Complexity | 830.08466 |
Chemical Identifiers
| CAS Number | 62591-08-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3N2)Cl |
Product Overview
2-(2-Benzimidazolyl)-2-(2-chlorobenzoyl)acetonitrile (CAS 62591-08-6), with molecular formula C16H10ClN3O and molecular weight 295.05 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)-3-oxopropanenitrile.
Chemical Property Profile of 2-(2-Benzimidazolyl)-2-(2-chlorobenzoyl)acetonitrile
Property Insights of 2-(2-Benzimidazolyl)-2-(2-chlorobenzoyl)acetonitrile
The XLogP value of 3.70638 indicates that 2-(2-Benzimidazolyl)-2-(2-chlorobenzoyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Benzimidazolyl)-2-(2-chlorobenzoyl)acetonitrile. Following Lipinski's Rule of Five, 2-(2-Benzimidazolyl)-2-(2-chlorobenzoyl)acetonitrile 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
Frequently Asked Questions
What is the CAS number of 2-(2-Benzimidazolyl)-2-(2-chlorobenzoyl)acetonitrile?
The CAS number of 2-(2-Benzimidazolyl)-2-(2-chlorobenzoyl)acetonitrile is 62591-08-6.
What is the molecular formula of 2-(2-Benzimidazolyl)-2-(2-chlorobenzoyl)acetonitrile?
The molecular formula of 2-(2-Benzimidazolyl)-2-(2-chlorobenzoyl)acetonitrile is C16H10ClN3O.
What is the molecular weight of 2-(2-Benzimidazolyl)-2-(2-chlorobenzoyl)acetonitrile?
The molecular weight of 2-(2-Benzimidazolyl)-2-(2-chlorobenzoyl)acetonitrile is 295.05 g/mol.
Where can I buy 2-(2-Benzimidazolyl)-2-(2-chlorobenzoyl)acetonitrile?
You can request a quote for 2-(2-Benzimidazolyl)-2-(2-chlorobenzoyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Benzimidazolyl)-2-(2-chlorobenzoyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Benzimidazolyl)-2-(2-chlorobenzoyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.