![1-(4-benzhydrylpiperazin-1-yl)-2-isopropyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile structure](/static/products/459/459186-96-0.png)
1-(4-benzhydrylpiperazin-1-yl)-2-isopropyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
TL;DR: 1-(4-benzhydrylpiperazin-1-yl)-2-isopropyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile (CAS 459186-96-0) is a chemical compound with molecular formula C33H33N5 and molecular weight 499.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzhydrylpiperazin-1-yl)-3-methyl-2-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 1-(4-benzhydrylpiperazin-1-yl)-2-isopropyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 1-(4-benzhydrylpiperazin-1-yl)-3-methyl-2-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-[4-(diphenylmethyl)piperazin-1-yl]-3-methyl-2-(propan-2-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile, 4-[4-(diphenylmethyl)piperazinyl]-2-methyl-3-(methylethyl)-5-hydropyridino[1,2 -a]benzimidazolecarbonitrile
| Molecular Formula | C33H33N5 |
|---|---|
| Molecular Weight | 499.27 g/mol |
| LogP | 6.7026 |
| Topological Polar Surface Area | 47.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.2736 |
| Heavy Atoms | 38 |
| Complexity | 1581.7078 |
Chemical Identifiers
| CAS Number | 459186-96-0 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1C(C)C)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C#N |
Product Overview
1-(4-benzhydrylpiperazin-1-yl)-2-isopropyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile (CAS 459186-96-0), with molecular formula C33H33N5 and molecular weight 499.27 g/mol. IUPAC: 1-(4-benzhydrylpiperazin-1-yl)-3-methyl-2-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 1-(4-benzhydrylpiperazin-1-yl)-2-isopropyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
Property Insights of 1-(4-benzhydrylpiperazin-1-yl)-2-isopropyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
The XLogP value of 6.7026 indicates that 1-(4-benzhydrylpiperazin-1-yl)-2-isopropyl-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-benzhydrylpiperazin-1-yl)-2-isopropyl-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-benzhydrylpiperazin-1-yl)-2-isopropyl-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-benzhydrylpiperazin-1-yl)-2-isopropyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The CAS number of 1-(4-benzhydrylpiperazin-1-yl)-2-isopropyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is 459186-96-0.
What is the molecular formula of 1-(4-benzhydrylpiperazin-1-yl)-2-isopropyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The molecular formula of 1-(4-benzhydrylpiperazin-1-yl)-2-isopropyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is C33H33N5.
What is the molecular weight of 1-(4-benzhydrylpiperazin-1-yl)-2-isopropyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The molecular weight of 1-(4-benzhydrylpiperazin-1-yl)-2-isopropyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is 499.27 g/mol.
Where can I buy 1-(4-benzhydrylpiperazin-1-yl)-2-isopropyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
You can request a quote for 1-(4-benzhydrylpiperazin-1-yl)-2-isopropyl-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-benzhydrylpiperazin-1-yl)-2-isopropyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-benzhydrylpiperazin-1-yl)-2-isopropyl-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.