4,5-Dicyanoimidazole
TL;DR: 4,5-Dicyanoimidazole (CAS 1122-28-7) is a chemical compound with molecular formula C5H2N4 and molecular weight 118.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-imidazole-4,5-dicarbonitrile
Also Known As: 4,5-Dicyanoimidazole, 1H-Imidazole-4,5-dicarbonitrile, Imidazole-4,5-dicarbonitrile, 4,5-Imidazoledicarbonitrile, 4,5-Diccyanoimidazole
| Molecular Formula | C5H2N4 |
|---|---|
| Molecular Weight | 118.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 76.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.02795 |
| Heavy Atoms | 9 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 1122-28-7 |
|---|---|
| SMILES | C1=NC(=C(N1)C#N)C#N |
| InChIKey | XGDRLCRGKUCBQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dicyanoimidazole (CAS 1122-28-7), with molecular formula C5H2N4 and molecular weight 118.03 g/mol. IUPAC: 1H-imidazole-4,5-dicarbonitrile.
Chemical Property Profile of 4,5-Dicyanoimidazole
Property Insights of 4,5-Dicyanoimidazole
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dicyanoimidazole. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dicyanoimidazole. Following Lipinski's Rule of Five, 4,5-Dicyanoimidazole 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 4,5-Dicyanoimidazole?
The CAS number of 4,5-Dicyanoimidazole is 1122-28-7.
What is the molecular formula of 4,5-Dicyanoimidazole?
The molecular formula of 4,5-Dicyanoimidazole is C5H2N4.
What is the molecular weight of 4,5-Dicyanoimidazole?
The molecular weight of 4,5-Dicyanoimidazole is 118.03 g/mol.
Where can I buy 4,5-Dicyanoimidazole?
You can request a quote for 4,5-Dicyanoimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dicyanoimidazole?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dicyanoimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.