3-(1H-benzimidazol-1-yl)propanenitrile
TL;DR: 3-(1H-benzimidazol-1-yl)propanenitrile (CAS 4414-84-0) is a chemical compound with molecular formula C10H9N3 and molecular weight 171.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzimidazol-1-yl)propanenitrile
Also Known As: 3-(1H-benzimidazol-1-yl)propanenitrile, 3-Benzoimidazol-1-yl-propionitrile, 3- propanenitrile, 3-(benzimidazol-1-yl)propanenitrile, 1H-Benzimidazole-1-propanenitrile
| Molecular Formula | C10H9N3 |
|---|---|
| Molecular Weight | 171.08 g/mol |
| LogP | 1.94998 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.07965 |
| Heavy Atoms | 13 |
| Complexity | 450.38297 |
Chemical Identifiers
| CAS Number | 4414-84-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CN2CCC#N |
Product Overview
3-(1H-benzimidazol-1-yl)propanenitrile (CAS 4414-84-0), with molecular formula C10H9N3 and molecular weight 171.08 g/mol. IUPAC: 3-(benzimidazol-1-yl)propanenitrile.
Chemical Property Profile of 3-(1H-benzimidazol-1-yl)propanenitrile
Property Insights of 3-(1H-benzimidazol-1-yl)propanenitrile
The XLogP value of 1.94998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-benzimidazol-1-yl)propanenitrile. With a topological polar surface area (TPSA) of 41.61 Ų, 3-(1H-benzimidazol-1-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(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-(1H-benzimidazol-1-yl)propanenitrile?
The CAS number of 3-(1H-benzimidazol-1-yl)propanenitrile is 4414-84-0.
What is the molecular formula of 3-(1H-benzimidazol-1-yl)propanenitrile?
The molecular formula of 3-(1H-benzimidazol-1-yl)propanenitrile is C10H9N3.
What is the molecular weight of 3-(1H-benzimidazol-1-yl)propanenitrile?
The molecular weight of 3-(1H-benzimidazol-1-yl)propanenitrile is 171.08 g/mol.
Where can I buy 3-(1H-benzimidazol-1-yl)propanenitrile?
You can request a quote for 3-(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-(1H-benzimidazol-1-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-benzimidazol-1-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.