1-(Benzimidazol-1-yl)-2-chloroethanone
TL;DR: 1-(Benzimidazol-1-yl)-2-chloroethanone (CAS 116488-67-6) is a chemical compound with molecular formula C9H7ClN2O and molecular weight 194.02469 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(benzimidazol-1-yl)-2-chloroethanone
Also Known As: 1-(benzimidazol-1-yl)-2-chloroethanone, 1-benzimidazolyl-2-chloroethan-1-one, 1H-Benzimidazole, 1-(chloroacetyl)- (9CI), 1-benzoimidazol-1-yl-2-chloro-ethanone, 1-(1H-benzimidazol-1-yl)-2-chloroEthanone
Technical Specifications
| Molecular Formula | C9H7ClN2O |
| Molecular Weight | 194.02469 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.02469 Da |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
| SMILES | C1=CC=C2C(=C1)N=CN2C(=O)CCl |
| InChIKey | KUMNOUQLYFZGJJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Benzimidazol-1-yl)-2-chloroethanone
Property Insights of 1-(Benzimidazol-1-yl)-2-chloroethanone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzimidazol-1-yl)-2-chloroethanone. With a topological polar surface area (TPSA) of 34.9 Ų, 1-(Benzimidazol-1-yl)-2-chloroethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzimidazol-1-yl)-2-chloroethanone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(Benzimidazol-1-yl)-2-chloroethanone?
The CAS number of 1-(Benzimidazol-1-yl)-2-chloroethanone is 116488-67-6.
What is the molecular formula of 1-(Benzimidazol-1-yl)-2-chloroethanone?
The molecular formula of 1-(Benzimidazol-1-yl)-2-chloroethanone is C9H7ClN2O.
What is the molecular weight of 1-(Benzimidazol-1-yl)-2-chloroethanone?
The molecular weight of 1-(Benzimidazol-1-yl)-2-chloroethanone is 194.02469 g/mol.
Where can I buy 1-(Benzimidazol-1-yl)-2-chloroethanone?
You can request a quote for 1-(Benzimidazol-1-yl)-2-chloroethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Benzimidazol-1-yl)-2-chloroethanone?
Yes, CoreyChem provides custom synthesis services for 1-(Benzimidazol-1-yl)-2-chloroethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.