4-(1H-imidazol-2-yl)benzonitrile
TL;DR: 4-(1H-imidazol-2-yl)benzonitrile (CAS 149104-90-5) is a chemical compound with molecular formula C10H7N3 and molecular weight 169.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1H-imidazol-2-yl)benzonitrile
Also Known As: 4-(1H-imidazol-2-yl)benzonitrile, 4-(Imidazol-2-yl)benzonitrile, Benzonitrile, 4-(1H-imidazol-2-yl)-, 2-(4-cyanophenyl)-1H-imidazole, 4- -BENZONITRILE
| Molecular Formula | C10H7N3 |
|---|---|
| Molecular Weight | 169.06 g/mol |
| LogP | 1.94838 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.064 |
| Heavy Atoms | 13 |
| Complexity | 420.19345 |
Chemical Identifiers
| CAS Number | 149104-90-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C2=NC=CN2 |
Product Overview
4-(1H-imidazol-2-yl)benzonitrile (CAS 149104-90-5), with molecular formula C10H7N3 and molecular weight 169.06 g/mol. IUPAC: 4-(1H-imidazol-2-yl)benzonitrile.
Chemical Property Profile of 4-(1H-imidazol-2-yl)benzonitrile
Property Insights of 4-(1H-imidazol-2-yl)benzonitrile
The XLogP value of 1.94838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-imidazol-2-yl)benzonitrile. With a topological polar surface area (TPSA) of 52.47 Ų, 4-(1H-imidazol-2-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1H-imidazol-2-yl)benzonitrile has 1 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-imidazol-2-yl)benzonitrile?
The CAS number of 4-(1H-imidazol-2-yl)benzonitrile is 149104-90-5.
What is the molecular formula of 4-(1H-imidazol-2-yl)benzonitrile?
The molecular formula of 4-(1H-imidazol-2-yl)benzonitrile is C10H7N3.
What is the molecular weight of 4-(1H-imidazol-2-yl)benzonitrile?
The molecular weight of 4-(1H-imidazol-2-yl)benzonitrile is 169.06 g/mol.
Where can I buy 4-(1H-imidazol-2-yl)benzonitrile?
You can request a quote for 4-(1H-imidazol-2-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-imidazol-2-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-imidazol-2-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.