1-benzyl-1H-imidazole-4,5-dicarbonitrile
TL;DR: 1-benzyl-1H-imidazole-4,5-dicarbonitrile (CAS 123124-90-3) is a chemical compound with molecular formula C12H8N4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylimidazole-4,5-dicarbonitrile
Also Known As: 1-benzyl-1H-imidazole-4,5-dicarbonitrile, 1-benzylimidazole-4,5-dicarbonitrile, 1-Benzyl-4,5-dicyanoimidazole, J2.064.500H, 1H-Imidazole-4,5-dicarbonitrile, 1-(phenylmethyl)-
| Molecular Formula | C12H8N4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.67476 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.07489 |
| Heavy Atoms | 16 |
| Complexity | 569.30164 |
Chemical Identifiers
| CAS Number | 123124-90-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC(=C2C#N)C#N |
Product Overview
1-benzyl-1H-imidazole-4,5-dicarbonitrile (CAS 123124-90-3), with molecular formula C12H8N4 and molecular weight 208.07 g/mol. IUPAC: 1-benzylimidazole-4,5-dicarbonitrile.
Chemical Property Profile of 1-benzyl-1H-imidazole-4,5-dicarbonitrile
Property Insights of 1-benzyl-1H-imidazole-4,5-dicarbonitrile
The XLogP value of 1.67476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-1H-imidazole-4,5-dicarbonitrile. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-1H-imidazole-4,5-dicarbonitrile. Following Lipinski's Rule of Five, 1-benzyl-1H-imidazole-4,5-dicarbonitrile has 0 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 1-benzyl-1H-imidazole-4,5-dicarbonitrile?
The CAS number of 1-benzyl-1H-imidazole-4,5-dicarbonitrile is 123124-90-3.
What is the molecular formula of 1-benzyl-1H-imidazole-4,5-dicarbonitrile?
The molecular formula of 1-benzyl-1H-imidazole-4,5-dicarbonitrile is C12H8N4.
What is the molecular weight of 1-benzyl-1H-imidazole-4,5-dicarbonitrile?
The molecular weight of 1-benzyl-1H-imidazole-4,5-dicarbonitrile is 208.07 g/mol.
Where can I buy 1-benzyl-1H-imidazole-4,5-dicarbonitrile?
You can request a quote for 1-benzyl-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 1-benzyl-1H-imidazole-4,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-1H-imidazole-4,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.