![1-[4-(4-chlorobenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile structure](/static/products/845/845662-90-0.png)
1-[4-(4-chlorobenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
TL;DR: 1-[4-(4-chlorobenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 845662-90-0) is a chemical compound with molecular formula C27H26ClN5 and molecular weight 455.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-2-prop-2-enylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 1-[4-(4-chlorobenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile, 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-2-prop-2-enylpyrido[1,2-a]benzimidazole-4-carbonitrile, 2-allyl-1-(4-(4-chlorobenzyl)piperazin-1-yl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 4-{4-[(4-chlorophenyl)methyl]piperazinyl}-2-methyl-3-prop-2-enyl-5-hydropyridi no[1,2-a]benzimidazolecarbonitrile
| Molecular Formula | C27H26ClN5 |
|---|---|
| Molecular Weight | 455.19 g/mol |
| LogP | 5.3717 |
| Topological Polar Surface Area | 47.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.18768 |
| Heavy Atoms | 33 |
| Complexity | 1372.1642 |
Chemical Identifiers
| CAS Number | 845662-90-0 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC=C)N4CCN(CC4)CC5=CC=C(C=C5)Cl)C#N |
Product Overview
1-[4-(4-chlorobenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 845662-90-0), with molecular formula C27H26ClN5 and molecular weight 455.19 g/mol. IUPAC: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-2-prop-2-enylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 1-[4-(4-chlorobenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Property Insights of 1-[4-(4-chlorobenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
The XLogP value of 5.3717 indicates that 1-[4-(4-chlorobenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-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-(4-chlorobenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(4-chlorobenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-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-(4-chlorobenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The CAS number of 1-[4-(4-chlorobenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile is 845662-90-0.
What is the molecular formula of 1-[4-(4-chlorobenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular formula of 1-[4-(4-chlorobenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile is C27H26ClN5.
What is the molecular weight of 1-[4-(4-chlorobenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular weight of 1-[4-(4-chlorobenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile is 455.19 g/mol.
Where can I buy 1-[4-(4-chlorobenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
You can request a quote for 1-[4-(4-chlorobenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-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-(4-chlorobenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(4-chlorobenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.