1H-1,3-benzodiazole-2-carboxamide
TL;DR: 1H-1,3-benzodiazole-2-carboxamide (CAS 5805-52-7) is a chemical compound with molecular formula C8H7N3O and molecular weight 161.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-benzimidazole-2-carboxamide
Also Known As: 1H-Benzo[d]imidazole-2-carboxamide, 1H-benzimidazole-2-carboxamide, benzimidazole carboxamide, 1H-1,3-benzodiazole-2-carboxamide, 2-Benzimidazolecarboxamide
| Molecular Formula | C8H7N3O |
|---|---|
| Molecular Weight | 161.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.05891 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 5805-52-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C(=O)N |
| InChIKey | XIZCDQOKKYYCRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-1,3-benzodiazole-2-carboxamide (CAS 5805-52-7), with molecular formula C8H7N3O and molecular weight 161.06 g/mol. IUPAC: 1H-benzimidazole-2-carboxamide.
Chemical Property Profile of 1H-1,3-benzodiazole-2-carboxamide
Property Insights of 1H-1,3-benzodiazole-2-carboxamide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,3-benzodiazole-2-carboxamide. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,3-benzodiazole-2-carboxamide. Following Lipinski's Rule of Five, 1H-1,3-benzodiazole-2-carboxamide has 2 hydrogen bond donor(s) and 2 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 1H-1,3-benzodiazole-2-carboxamide?
The CAS number of 1H-1,3-benzodiazole-2-carboxamide is 5805-52-7.
What is the molecular formula of 1H-1,3-benzodiazole-2-carboxamide?
The molecular formula of 1H-1,3-benzodiazole-2-carboxamide is C8H7N3O.
What is the molecular weight of 1H-1,3-benzodiazole-2-carboxamide?
The molecular weight of 1H-1,3-benzodiazole-2-carboxamide is 161.06 g/mol.
Where can I buy 1H-1,3-benzodiazole-2-carboxamide?
You can request a quote for 1H-1,3-benzodiazole-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,3-benzodiazole-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,3-benzodiazole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.