3-(2-chloro-1H-benzimidazol-1-yl)propanenitrile
TL;DR: 3-(2-chloro-1H-benzimidazol-1-yl)propanenitrile (CAS 56172-23-7) is a chemical compound with molecular formula C10H8ClN3 and molecular weight 205.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorobenzimidazol-1-yl)propanenitrile
Also Known As: 1-beta-Cyanoethyl-2-chlorobenzimidazole, 3-(2-chlorobenzimidazol-1-yl)propanenitrile, 3-(2-chloro-1H-1,3-benzodiazol-1-yl)propanenitrile, 3-(2-chloro-1H-benzimidazol-1-yl)propanenitrile, 3-(2-chloro-1H-benzo[d]imidazol-1-yl)propanenitrile
| Molecular Formula | C10H8ClN3 |
|---|---|
| Molecular Weight | 205.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.04068 |
| Heavy Atoms | 14 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 56172-23-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(N2CCC#N)Cl |
| InChIKey | CMKKSMJRSDZZBF-UHFFFAOYSA-N |
Product Overview
3-(2-chloro-1H-benzimidazol-1-yl)propanenitrile (CAS 56172-23-7), with molecular formula C10H8ClN3 and molecular weight 205.04 g/mol. IUPAC: 3-(2-chlorobenzimidazol-1-yl)propanenitrile.
Chemical Property Profile of 3-(2-chloro-1H-benzimidazol-1-yl)propanenitrile
Property Insights of 3-(2-chloro-1H-benzimidazol-1-yl)propanenitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-chloro-1H-benzimidazol-1-yl)propanenitrile. With a topological polar surface area (TPSA) of 41.6 Ų, 3-(2-chloro-1H-benzimidazol-1-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-chloro-1H-benzimidazol-1-yl)propanenitrile has 0 hydrogen bond donor(s) and 2 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 3-(2-chloro-1H-benzimidazol-1-yl)propanenitrile?
The CAS number of 3-(2-chloro-1H-benzimidazol-1-yl)propanenitrile is 56172-23-7.
What is the molecular formula of 3-(2-chloro-1H-benzimidazol-1-yl)propanenitrile?
The molecular formula of 3-(2-chloro-1H-benzimidazol-1-yl)propanenitrile is C10H8ClN3.
What is the molecular weight of 3-(2-chloro-1H-benzimidazol-1-yl)propanenitrile?
The molecular weight of 3-(2-chloro-1H-benzimidazol-1-yl)propanenitrile is 205.04 g/mol.
Where can I buy 3-(2-chloro-1H-benzimidazol-1-yl)propanenitrile?
You can request a quote for 3-(2-chloro-1H-benzimidazol-1-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chloro-1H-benzimidazol-1-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chloro-1H-benzimidazol-1-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.