5-cyano-2-(trifluoromethyl)-1H-imidazole-4-carboxamide
TL;DR: 5-cyano-2-(trifluoromethyl)-1H-imidazole-4-carboxamide (CAS 869-93-2) is a chemical compound with molecular formula C6H3F3N4O and molecular weight 204.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyano-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
Also Known As: Moa 16, 5-Cyano-2-(trifluoromethyl)-1H-imidazole-4-carboxamide, 4-cyano-2-(trifluoromethyl)-1H-imidazole-5-carboxamide, 5-CYANO-2-(TRIFLUOROMETHYL)-3H-IMIDAZOLE-4-CARBOXAMIDE, 1H-Imidazole-4-carboxamide, 5-cyano-2-(trifluoromethyl)-
| Molecular Formula | C6H3F3N4O |
|---|---|
| Molecular Weight | 204.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.0259 |
| Heavy Atoms | 14 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 869-93-2 |
|---|---|
| SMILES | C(#N)C1=C(NC(=N1)C(F)(F)F)C(=O)N |
| InChIKey | VUHSLHQBYWUCFW-UHFFFAOYSA-N |
Product Overview
5-cyano-2-(trifluoromethyl)-1H-imidazole-4-carboxamide (CAS 869-93-2), with molecular formula C6H3F3N4O and molecular weight 204.03 g/mol. IUPAC: 4-cyano-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.
Chemical Property Profile of 5-cyano-2-(trifluoromethyl)-1H-imidazole-4-carboxamide
Property Insights of 5-cyano-2-(trifluoromethyl)-1H-imidazole-4-carboxamide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-cyano-2-(trifluoromethyl)-1H-imidazole-4-carboxamide. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-cyano-2-(trifluoromethyl)-1H-imidazole-4-carboxamide. Following Lipinski's Rule of Five, 5-cyano-2-(trifluoromethyl)-1H-imidazole-4-carboxamide has 2 hydrogen bond donor(s) and 6 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-cyano-2-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The CAS number of 5-cyano-2-(trifluoromethyl)-1H-imidazole-4-carboxamide is 869-93-2.
What is the molecular formula of 5-cyano-2-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The molecular formula of 5-cyano-2-(trifluoromethyl)-1H-imidazole-4-carboxamide is C6H3F3N4O.
What is the molecular weight of 5-cyano-2-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The molecular weight of 5-cyano-2-(trifluoromethyl)-1H-imidazole-4-carboxamide is 204.03 g/mol.
Where can I buy 5-cyano-2-(trifluoromethyl)-1H-imidazole-4-carboxamide?
You can request a quote for 5-cyano-2-(trifluoromethyl)-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-cyano-2-(trifluoromethyl)-1H-imidazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-cyano-2-(trifluoromethyl)-1H-imidazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.