2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile
TL;DR: 2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile (CAS 115905-43-6) is a chemical compound with molecular formula C6H3BrN4 and molecular weight 209.95412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-1-methylimidazole-4,5-dicarbonitrile
Also Known As: 2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile, 2-bromo-1-methylimidazole-4,5-dicarbonitrile, 2-Bromo-4,5-dicyano-1-methylimidazole, 2-bromo-1-methyl-imidazole-4,5-dicarbonitrile, 1H-Imidazole-4,5-dicarbonitrile,2-bromo-1-methyl-
Technical Specifications
| Molecular Formula | C6H3BrN4 |
| Molecular Weight | 209.95412 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 65.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.95412 Da |
| Heavy Atoms | 11 |
| Complexity | 246.0 |
| SMILES | CN1C(=C(N=C1Br)C#N)C#N |
| InChIKey | ROALCCYWMDMWON-UHFFFAOYSA-N |
Chemical Property Profile of 2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile
Property Insights of 2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile. Following Lipinski's Rule of Five, 2-Bromo-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
What is the CAS number of 2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile?
The CAS number of 2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile is 115905-43-6.
What is the molecular formula of 2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile?
The molecular formula of 2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile is C6H3BrN4.
What is the molecular weight of 2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile?
The molecular weight of 2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile is 209.95412 g/mol.
Where can I buy 2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile?
You can request a quote for 2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.