2-(3-Benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone
TL;DR: 2-(3-Benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone (CAS 4672-13-3) is a chemical compound with molecular formula C22H18ClN2O+ and molecular weight 361.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone
Also Known As: 2-(3-benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone, 2-(3-benzylbenzoimidazol-1-yl)-1-(4-chlorophenyl)ethanone, 3-Benzyl-1-[2-(4-chlorophenyl)-2-oxoethyl]-1H-1,3-benzimidazol-3-ium
| Molecular Formula | C22H18ClN2O+ |
|---|---|
| Molecular Weight | 361.11 g/mol |
| LogP | 4.5134 |
| Topological Polar Surface Area | 25.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.11078 |
| Heavy Atoms | 26 |
| Complexity | 1052.6572 |
Chemical Identifiers
| CAS Number | 4672-13-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[N+]2=CN(C3=CC=CC=C32)CC(=O)C4=CC=C(C=C4)Cl |
Product Overview
2-(3-Benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone (CAS 4672-13-3), with molecular formula C22H18ClN2O+ and molecular weight 361.11 g/mol. IUPAC: 2-(3-benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone.
Chemical Property Profile of 2-(3-Benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone
Property Insights of 2-(3-Benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone
The XLogP value of 4.5134 indicates that 2-(3-Benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.88 Ų, 2-(3-Benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone has 0 hydrogen bond donor(s) and 1 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 2-(3-Benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone?
The CAS number of 2-(3-Benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone is 4672-13-3.
What is the molecular formula of 2-(3-Benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone?
The molecular formula of 2-(3-Benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone is C22H18ClN2O+.
What is the molecular weight of 2-(3-Benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone?
The molecular weight of 2-(3-Benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone is 361.11 g/mol.
Where can I buy 2-(3-Benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone?
You can request a quote for 2-(3-Benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.