4-(1H-1,3-benzodiazol-1-yl)benzonitrile
TL;DR: 4-(1H-1,3-benzodiazol-1-yl)benzonitrile (CAS 25699-95-0) is a chemical compound with molecular formula C14H9N3 and molecular weight 219.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzimidazol-1-yl)benzonitrile
Also Known As: 4-(1H-1,3-benzodiazol-1-yl)benzonitrile, 4-(benzimidazol-1-yl)benzonitrile, 1-(4-cyanophenyl)benzimidazole, 1-Phenylbenzimidazole deriv. 49, 4-(1H-benzimidazol-1-yl)Benzonitrile
| Molecular Formula | C14H9N3 |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 2.89718 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.07965 |
| Heavy Atoms | 17 |
| Complexity | 702.1606 |
Chemical Identifiers
| CAS Number | 25699-95-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)C#N |
Product Overview
4-(1H-1,3-benzodiazol-1-yl)benzonitrile (CAS 25699-95-0), with molecular formula C14H9N3 and molecular weight 219.08 g/mol. IUPAC: 4-(benzimidazol-1-yl)benzonitrile.
Chemical Property Profile of 4-(1H-1,3-benzodiazol-1-yl)benzonitrile
Property Insights of 4-(1H-1,3-benzodiazol-1-yl)benzonitrile
The XLogP value of 2.89718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-1,3-benzodiazol-1-yl)benzonitrile. With a topological polar surface area (TPSA) of 41.61 Ų, 4-(1H-1,3-benzodiazol-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1H-1,3-benzodiazol-1-yl)benzonitrile 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 4-(1H-1,3-benzodiazol-1-yl)benzonitrile?
The CAS number of 4-(1H-1,3-benzodiazol-1-yl)benzonitrile is 25699-95-0.
What is the molecular formula of 4-(1H-1,3-benzodiazol-1-yl)benzonitrile?
The molecular formula of 4-(1H-1,3-benzodiazol-1-yl)benzonitrile is C14H9N3.
What is the molecular weight of 4-(1H-1,3-benzodiazol-1-yl)benzonitrile?
The molecular weight of 4-(1H-1,3-benzodiazol-1-yl)benzonitrile is 219.08 g/mol.
Where can I buy 4-(1H-1,3-benzodiazol-1-yl)benzonitrile?
You can request a quote for 4-(1H-1,3-benzodiazol-1-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1H-1,3-benzodiazol-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-1,3-benzodiazol-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.