![3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile structure](/static/products/385/385416-77-3.png)
3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
TL;DR: 3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 385416-77-3) is a chemical compound with molecular formula C33H35N5 and molecular weight 501.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile, 2-isopentyl-3-methyl-1-(4-(naphthalen-1-ylmethyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 2-ISOPENTYL-3-METHYL-1-[4-(1-NAPHTHYLMETHYL)-1-PIPERAZINYL]PYRIDO[1,2-A]BENZIMIDAZOLE-4-CARBONITRILE, 2-methyl-3-(3-methylbutyl)-4-[4-(naphthylmethyl)piperazinyl]-5-hydropyridino[1 ,2-a]benzimidazolecarbonitrile
| Molecular Formula | C33H35N5 |
|---|---|
| Molecular Weight | 501.29 g/mol |
| LogP | 6.7316 |
| Topological Polar Surface Area | 47.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.28925 |
| Heavy Atoms | 38 |
| Complexity | 1659.3348 |
Chemical Identifiers
| CAS Number | 385416-77-3 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(C)C)N4CCN(CC4)CC5=CC=CC6=CC=CC=C65)C#N |
Product Overview
3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 385416-77-3), with molecular formula C33H35N5 and molecular weight 501.29 g/mol. IUPAC: 3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
Property Insights of 3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
The XLogP value of 6.7316 indicates that 3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-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, 3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-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, 3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-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 3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The CAS number of 3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile is 385416-77-3.
What is the molecular formula of 3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular formula of 3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile is C33H35N5.
What is the molecular weight of 3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular weight of 3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile is 501.29 g/mol.
Where can I buy 3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
You can request a quote for 3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-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 3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-2-(3-methylbutyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.