5-(cyanomethyl)-1H-imidazole-4-carboxamide
TL;DR: 5-(cyanomethyl)-1H-imidazole-4-carboxamide (CAS 56039-08-8) is a chemical compound with molecular formula C6H6N4O and molecular weight 150.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(cyanomethyl)-1H-imidazole-4-carboxamide
Also Known As: 5-(cyanomethyl)-1H-imidazole-4-carboxamide, 4-(Cyanomethyl)-1H-imidazole-5-carboxamide, 1H-Imidazole-4-carboxamide, 5-(cyanomethyl)-, 1H-Imidazole-4-carboxamide, 5-(cyanomethyl)- (9CI)
| Molecular Formula | C6H6N4O |
|---|---|
| Molecular Weight | 150.05 g/mol |
| LogP | -0.42532 |
| Topological Polar Surface Area | 95.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.05415 |
| Heavy Atoms | 11 |
| Complexity | 308.62735 |
Chemical Identifiers
| CAS Number | 56039-08-8 |
|---|---|
| SMILES | C1=NC(=C(N1)CC#N)C(=O)N |
Product Overview
5-(cyanomethyl)-1H-imidazole-4-carboxamide (CAS 56039-08-8), with molecular formula C6H6N4O and molecular weight 150.05 g/mol. IUPAC: 5-(cyanomethyl)-1H-imidazole-4-carboxamide.
Chemical Property Profile of 5-(cyanomethyl)-1H-imidazole-4-carboxamide
Property Insights of 5-(cyanomethyl)-1H-imidazole-4-carboxamide
The XLogP value of -0.42532 indicates that 5-(cyanomethyl)-1H-imidazole-4-carboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(cyanomethyl)-1H-imidazole-4-carboxamide. Following Lipinski's Rule of Five, 5-(cyanomethyl)-1H-imidazole-4-carboxamide has 2 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 5-(cyanomethyl)-1H-imidazole-4-carboxamide?
The CAS number of 5-(cyanomethyl)-1H-imidazole-4-carboxamide is 56039-08-8.
What is the molecular formula of 5-(cyanomethyl)-1H-imidazole-4-carboxamide?
The molecular formula of 5-(cyanomethyl)-1H-imidazole-4-carboxamide is C6H6N4O.
What is the molecular weight of 5-(cyanomethyl)-1H-imidazole-4-carboxamide?
The molecular weight of 5-(cyanomethyl)-1H-imidazole-4-carboxamide is 150.05 g/mol.
Where can I buy 5-(cyanomethyl)-1H-imidazole-4-carboxamide?
You can request a quote for 5-(cyanomethyl)-1H-imidazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(cyanomethyl)-1H-imidazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(cyanomethyl)-1H-imidazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.