![1-(4-benzylpiperazin-1-yl)-2-(2-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile structure](/static/products/861/861111-47-9.png)
1-(4-benzylpiperazin-1-yl)-2-(2-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
TL;DR: 1-(4-benzylpiperazin-1-yl)-2-(2-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile (CAS 861111-47-9) is a chemical compound with molecular formula C31H28ClN5 and molecular weight 505.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzylpiperazin-1-yl)-2-[(2-chlorophenyl)methyl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 1-(4-benzylpiperazin-1-yl)-2-(2-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 1-(4-benzylpiperazin-1-yl)-2-(2-chlorobenzyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-(4-benzylpiperazin-1-yl)-2-[(2-chlorophenyl)methyl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 3-[(2-chlorophenyl)methyl]-2-methyl-4-[4-benzylpiperazinyl]-5-hydropyridino[1, 2-a]benzimidazolecarbonitrile
| Molecular Formula | C31H28ClN5 |
|---|---|
| Molecular Weight | 505.20 g/mol |
| LogP | 6.234 |
| Topological Polar Surface Area | 47.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.20334 |
| Heavy Atoms | 37 |
| Complexity | 1625.1255 |
Chemical Identifiers
| CAS Number | 861111-47-9 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=CC=C4Cl)N5CCN(CC5)CC6=CC=CC=C6)C#N |
Product Overview
1-(4-benzylpiperazin-1-yl)-2-(2-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile (CAS 861111-47-9), with molecular formula C31H28ClN5 and molecular weight 505.20 g/mol. IUPAC: 1-(4-benzylpiperazin-1-yl)-2-[(2-chlorophenyl)methyl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 1-(4-benzylpiperazin-1-yl)-2-(2-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
Property Insights of 1-(4-benzylpiperazin-1-yl)-2-(2-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
The XLogP value of 6.234 indicates that 1-(4-benzylpiperazin-1-yl)-2-(2-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.57 Ų, 1-(4-benzylpiperazin-1-yl)-2-(2-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-benzylpiperazin-1-yl)-2-(2-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-benzylpiperazin-1-yl)-2-(2-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The CAS number of 1-(4-benzylpiperazin-1-yl)-2-(2-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is 861111-47-9.
What is the molecular formula of 1-(4-benzylpiperazin-1-yl)-2-(2-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The molecular formula of 1-(4-benzylpiperazin-1-yl)-2-(2-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is C31H28ClN5.
What is the molecular weight of 1-(4-benzylpiperazin-1-yl)-2-(2-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The molecular weight of 1-(4-benzylpiperazin-1-yl)-2-(2-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is 505.20 g/mol.
Where can I buy 1-(4-benzylpiperazin-1-yl)-2-(2-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
You can request a quote for 1-(4-benzylpiperazin-1-yl)-2-(2-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-benzylpiperazin-1-yl)-2-(2-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-benzylpiperazin-1-yl)-2-(2-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.