![1-[4-(2,4-dimethylbenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile structure](/static/products/847/847378-63-6.png)
1-[4-(2,4-dimethylbenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
TL;DR: 1-[4-(2,4-dimethylbenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 847378-63-6) is a chemical compound with molecular formula C29H31N5 and molecular weight 449.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-3-methyl-2-prop-2-enylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 1-[4-(2,4-dimethylbenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile, 1-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-3-methyl-2-prop-2-enylpyrido[1,2-a]benzimidazole-4-carbonitrile, 2-allyl-1-(4-(2,4-dimethylbenzyl)piperazin-1-yl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 4-{4-[(2,4-dimethylphenyl)methyl]piperazinyl}-2-methyl-3-prop-2-enyl-5-hydropy ridino[1,2-a]benzimidazolecarbonitrile
| Molecular Formula | C29H31N5 |
|---|---|
| Molecular Weight | 449.26 g/mol |
| LogP | 5.33514 |
| Topological Polar Surface Area | 47.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.25793 |
| Heavy Atoms | 34 |
| Complexity | 1430.9435 |
Chemical Identifiers
| CAS Number | 847378-63-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)CN2CCN(CC2)C3=C(C(=C(C4=NC5=CC=CC=C5N34)C#N)C)CC=C)C |
Product Overview
1-[4-(2,4-dimethylbenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 847378-63-6), with molecular formula C29H31N5 and molecular weight 449.26 g/mol. IUPAC: 1-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-3-methyl-2-prop-2-enylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 1-[4-(2,4-dimethylbenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Property Insights of 1-[4-(2,4-dimethylbenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
The XLogP value of 5.33514 indicates that 1-[4-(2,4-dimethylbenzyl)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-(2,4-dimethylbenzyl)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-(2,4-dimethylbenzyl)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-(2,4-dimethylbenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The CAS number of 1-[4-(2,4-dimethylbenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile is 847378-63-6.
What is the molecular formula of 1-[4-(2,4-dimethylbenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular formula of 1-[4-(2,4-dimethylbenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile is C29H31N5.
What is the molecular weight of 1-[4-(2,4-dimethylbenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular weight of 1-[4-(2,4-dimethylbenzyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile is 449.26 g/mol.
Where can I buy 1-[4-(2,4-dimethylbenzyl)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-(2,4-dimethylbenzyl)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-(2,4-dimethylbenzyl)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-(2,4-dimethylbenzyl)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.