2-Benzimidazolecarbamonitrile
TL;DR: 2-Benzimidazolecarbamonitrile (CAS 55864-37-4) is a chemical compound with molecular formula C8H6N4 and molecular weight 158.05925 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1H-benzimidazol-2-ylcyanamide
Also Known As: 1H-benzimidazol-2-ylcyanamide, 2-Benzimidazolecarbamonitrile, 2-cyanamidobenzimidazole, 2-cyanoaminobenzimidazole, Cyanamide, 1H-benzimidazol-2-yl-
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6N4 |
| Molecular Weight | 158.05925 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 64.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.05925 Da |
| Heavy Atoms | 12 |
| Complexity | 206.0 |
| SMILES | C1=CC=C2C(=C1)NC(=N2)NC#N |
| InChIKey | NYLIXUBOFQIMGV-UHFFFAOYSA-N |
Chemical Property Profile of 2-Benzimidazolecarbamonitrile
Property Insights of 2-Benzimidazolecarbamonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzimidazolecarbamonitrile. The TPSA of 64.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzimidazolecarbamonitrile. Following Lipinski's Rule of Five, 2-Benzimidazolecarbamonitrile 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
What is the CAS number of 2-Benzimidazolecarbamonitrile?
The CAS number of 2-Benzimidazolecarbamonitrile is 55864-37-4.
What is the molecular formula of 2-Benzimidazolecarbamonitrile?
The molecular formula of 2-Benzimidazolecarbamonitrile is C8H6N4.
What is the molecular weight of 2-Benzimidazolecarbamonitrile?
The molecular weight of 2-Benzimidazolecarbamonitrile is 158.05925 g/mol.
Where can I buy 2-Benzimidazolecarbamonitrile?
You can request a quote for 2-Benzimidazolecarbamonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Benzimidazolecarbamonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Benzimidazolecarbamonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.