Benzimidazol-1-yl(pyridin-4-yl)methanone
TL;DR: Benzimidazol-1-yl(pyridin-4-yl)methanone (CAS 100312-31-0) is a chemical compound with molecular formula C13H9N3O and molecular weight 223.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzimidazol-1-yl(pyridin-4-yl)methanone
Also Known As: N-isonicotinoylbenzimidazole, Benzoimidazol-1-yl-pyridin-4-yl-methanone, benzimidazol-1-yl(pyridin-4-yl)methanone
| Molecular Formula | C13H9N3O |
|---|---|
| Molecular Weight | 223.07 g/mol |
| LogP | 2.1198 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.07455 |
| Heavy Atoms | 17 |
| Complexity | 673.20715 |
Chemical Identifiers
| CAS Number | 100312-31-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CN2C(=O)C3=CC=NC=C3 |
Product Overview
Benzimidazol-1-yl(pyridin-4-yl)methanone (CAS 100312-31-0), with molecular formula C13H9N3O and molecular weight 223.07 g/mol. IUPAC: benzimidazol-1-yl(pyridin-4-yl)methanone.
Chemical Property Profile of Benzimidazol-1-yl(pyridin-4-yl)methanone
Property Insights of Benzimidazol-1-yl(pyridin-4-yl)methanone
The XLogP value of 2.1198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzimidazol-1-yl(pyridin-4-yl)methanone. With a topological polar surface area (TPSA) of 47.78 Ų, Benzimidazol-1-yl(pyridin-4-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzimidazol-1-yl(pyridin-4-yl)methanone 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 Benzimidazol-1-yl(pyridin-4-yl)methanone?
The CAS number of Benzimidazol-1-yl(pyridin-4-yl)methanone is 100312-31-0.
What is the molecular formula of Benzimidazol-1-yl(pyridin-4-yl)methanone?
The molecular formula of Benzimidazol-1-yl(pyridin-4-yl)methanone is C13H9N3O.
What is the molecular weight of Benzimidazol-1-yl(pyridin-4-yl)methanone?
The molecular weight of Benzimidazol-1-yl(pyridin-4-yl)methanone is 223.07 g/mol.
Where can I buy Benzimidazol-1-yl(pyridin-4-yl)methanone?
You can request a quote for Benzimidazol-1-yl(pyridin-4-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazol-1-yl(pyridin-4-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazol-1-yl(pyridin-4-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.