![1-[(4-Chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole chloride structure](/static/products/1163/1163-36-6.webp)
1-[(4-Chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole chloride
TL;DR: 1-[(4-Chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole chloride (CAS 1163-36-6) is a chemical compound with molecular formula C19H21Cl2N3 and molecular weight 361.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole chloride
Also Known As: Allercur, Reactrol, Clemizole hydrochloride, Allercure hydrochloride, Clemizole (hydrochloride)
| Molecular Formula | C19H21Cl2N3 |
|---|---|
| Molecular Weight | 361.11 g/mol |
| LogP | -0.08 |
| Topological Polar Surface Area | 22.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.11127 |
| Heavy Atoms | 24 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 1163-36-6 |
|---|---|
| SMILES | C1CC[NH+](C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl.[Cl-] |
| InChIKey | DNFMJYXRIMLMBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[(4-Chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole chloride (CAS 1163-36-6), with molecular formula C19H21Cl2N3 and molecular weight 361.11 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole chloride.
Chemical Property Profile of 1-[(4-Chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole chloride
Property Insights of 1-[(4-Chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole chloride
The XLogP value of -0.08 indicates that 1-[(4-Chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 22.3 Ų, 1-[(4-Chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-Chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole chloride has 1 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 1-[(4-Chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole chloride?
The CAS number of 1-[(4-Chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole chloride is 1163-36-6.
What is the molecular formula of 1-[(4-Chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole chloride?
The molecular formula of 1-[(4-Chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole chloride is C19H21Cl2N3.
What is the molecular weight of 1-[(4-Chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole chloride?
The molecular weight of 1-[(4-Chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole chloride is 361.11 g/mol.
Where can I buy 1-[(4-Chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole chloride?
You can request a quote for 1-[(4-Chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-Chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.