1-Methyl-1H-imidazole-4,5-dicarbonitrile
TL;DR: 1-Methyl-1H-imidazole-4,5-dicarbonitrile (CAS 59559-06-7) is a chemical compound with molecular formula C6H4N4 and molecular weight 132.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylimidazole-4,5-dicarbonitrile
Also Known As: 1-Methyl-1H-imidazole-4,5-dicarbonitrile, 1-methylimidazole-4,5-dicarbonitrile, 4,5-Dicyano-1-methyl-1H-imidazole, 4,5-dicyano-1-methylimidazole, Imidazole, 4,5-dicyano-1-methyl-
| Molecular Formula | C6H4N4 |
|---|---|
| Molecular Weight | 132.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 132.0436 |
| Heavy Atoms | 10 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 59559-06-7 |
|---|---|
| SMILES | CN1C=NC(=C1C#N)C#N |
| InChIKey | SUOVGHDPXJUFME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-1H-imidazole-4,5-dicarbonitrile (CAS 59559-06-7), with molecular formula C6H4N4 and molecular weight 132.04 g/mol. IUPAC: 1-methylimidazole-4,5-dicarbonitrile.
Chemical Property Profile of 1-Methyl-1H-imidazole-4,5-dicarbonitrile
Property Insights of 1-Methyl-1H-imidazole-4,5-dicarbonitrile
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-1H-imidazole-4,5-dicarbonitrile. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-1H-imidazole-4,5-dicarbonitrile. Following Lipinski's Rule of Five, 1-Methyl-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-Methyl-1H-imidazole-4,5-dicarbonitrile?
The CAS number of 1-Methyl-1H-imidazole-4,5-dicarbonitrile is 59559-06-7.
What is the molecular formula of 1-Methyl-1H-imidazole-4,5-dicarbonitrile?
The molecular formula of 1-Methyl-1H-imidazole-4,5-dicarbonitrile is C6H4N4.
What is the molecular weight of 1-Methyl-1H-imidazole-4,5-dicarbonitrile?
The molecular weight of 1-Methyl-1H-imidazole-4,5-dicarbonitrile is 132.04 g/mol.
Where can I buy 1-Methyl-1H-imidazole-4,5-dicarbonitrile?
You can request a quote for 1-Methyl-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-Methyl-1H-imidazole-4,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1H-imidazole-4,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.