2-phenyl-1H-imidazole-4,5-dicarbonitrile
TL;DR: 2-phenyl-1H-imidazole-4,5-dicarbonitrile (CAS 50847-06-8) is a chemical compound with molecular formula C11H6N4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-1H-imidazole-4,5-dicarbonitrile
Also Known As: 2-phenyl-1H-imidazole-4,5-dicarbonitrile, phenylimidazoledicarbonitrile, 2-Phenyl-4,5-dicyanoimidazole, 4,5-Dicyano-2-phenylimidazole, ZERO/004617
| Molecular Formula | C11H6N4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.82006 |
| Topological Polar Surface Area | 76.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.05925 |
| Heavy Atoms | 15 |
| Complexity | 523.0092 |
Chemical Identifiers
| CAS Number | 50847-06-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=C(N2)C#N)C#N |
Product Overview
2-phenyl-1H-imidazole-4,5-dicarbonitrile (CAS 50847-06-8), with molecular formula C11H6N4 and molecular weight 194.06 g/mol. IUPAC: 2-phenyl-1H-imidazole-4,5-dicarbonitrile.
Chemical Property Profile of 2-phenyl-1H-imidazole-4,5-dicarbonitrile
Property Insights of 2-phenyl-1H-imidazole-4,5-dicarbonitrile
The XLogP value of 1.82006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-phenyl-1H-imidazole-4,5-dicarbonitrile. The TPSA of 76.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenyl-1H-imidazole-4,5-dicarbonitrile. Following Lipinski's Rule of Five, 2-phenyl-1H-imidazole-4,5-dicarbonitrile 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-phenyl-1H-imidazole-4,5-dicarbonitrile?
The CAS number of 2-phenyl-1H-imidazole-4,5-dicarbonitrile is 50847-06-8.
What is the molecular formula of 2-phenyl-1H-imidazole-4,5-dicarbonitrile?
The molecular formula of 2-phenyl-1H-imidazole-4,5-dicarbonitrile is C11H6N4.
What is the molecular weight of 2-phenyl-1H-imidazole-4,5-dicarbonitrile?
The molecular weight of 2-phenyl-1H-imidazole-4,5-dicarbonitrile is 194.06 g/mol.
Where can I buy 2-phenyl-1H-imidazole-4,5-dicarbonitrile?
You can request a quote for 2-phenyl-1H-imidazole-4,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenyl-1H-imidazole-4,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-phenyl-1H-imidazole-4,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.