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1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride
TL;DR: 1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride (CAS 36339-13-6) is a chemical compound with molecular formula C21H19ClN2 and molecular weight 334.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dibenzylbenzimidazol-3-ium chloride
Also Known As: 1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride, 1,3-dibenzylbenzimidazol-3-ium;chloride, 1,3-dibenzyl-1H-1,3-benzodiazol-3-ium chloride, 1H-Benzimidazolium, 1,3-bis(phenylmethyl)-, chloride, 1,3-dibenzylbenzoimidazole Chloride
| Molecular Formula | C21H19ClN2 |
|---|---|
| Molecular Weight | 334.12 g/mol |
| LogP | 1.0294 |
| Topological Polar Surface Area | 8.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.1237 |
| Heavy Atoms | 24 |
| Complexity | 838.9021 |
Chemical Identifiers
| CAS Number | 36339-13-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=[N+](C3=CC=CC=C32)CC4=CC=CC=C4.[Cl-] |
Product Overview
1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride (CAS 36339-13-6), with molecular formula C21H19ClN2 and molecular weight 334.12 g/mol. IUPAC: 1,3-dibenzylbenzimidazol-3-ium chloride.
Chemical Property Profile of 1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride
Property Insights of 1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride
The XLogP value of 1.0294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride. With a topological polar surface area (TPSA) of 8.81 Ų, 1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride has 0 hydrogen bond donor(s) and 0 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 1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride?
The CAS number of 1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride is 36339-13-6.
What is the molecular formula of 1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride?
The molecular formula of 1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride is C21H19ClN2.
What is the molecular weight of 1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride?
The molecular weight of 1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride is 334.12 g/mol.
Where can I buy 1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride?
You can request a quote for 1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.