![2-isopentyl-3-methyl-1-(2-methyl-1H-imidazol-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile structure](/static/products/4425/442572-96-5.webp)
2-isopentyl-3-methyl-1-(2-methyl-1H-imidazol-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
TL;DR: 2-isopentyl-3-methyl-1-(2-methyl-1H-imidazol-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile (CAS 442572-96-5) is a chemical compound with molecular formula C22H23N5 and molecular weight 357.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(3-methylbutyl)-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 2-isopentyl-3-methyl-1-(2-methyl-1H-imidazol-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 11-methyl-13-(2-methyl-1H-imidazol-1-yl)-12-(3-methylbutyl)-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile, 3-methyl-2-(3-methylbutyl)-1-(2-methyl-1H-imidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile, 3-methyl-2-(3-methylbutyl)-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile, 3-isopentyl-2-methyl-4-(2-methyl-1-imidazolyl)-4a,9-diaza-1-fluorenecarbonitrile
| Molecular Formula | C22H23N5 |
|---|---|
| Molecular Weight | 357.20 g/mol |
| LogP | 4.75032 |
| Topological Polar Surface Area | 58.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.19534 |
| Heavy Atoms | 27 |
| Complexity | 1187.0704 |
Chemical Identifiers
| CAS Number | 442572-96-5 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(C)C)N4C=CN=C4C)C#N |
Product Overview
2-isopentyl-3-methyl-1-(2-methyl-1H-imidazol-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile (CAS 442572-96-5), with molecular formula C22H23N5 and molecular weight 357.20 g/mol. IUPAC: 3-methyl-2-(3-methylbutyl)-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 2-isopentyl-3-methyl-1-(2-methyl-1H-imidazol-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
Property Insights of 2-isopentyl-3-methyl-1-(2-methyl-1H-imidazol-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
The XLogP value of 4.75032 indicates that 2-isopentyl-3-methyl-1-(2-methyl-1H-imidazol-1-yl)benzo[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 58.91 Ų, 2-isopentyl-3-methyl-1-(2-methyl-1H-imidazol-1-yl)benzo[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, 2-isopentyl-3-methyl-1-(2-methyl-1H-imidazol-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-isopentyl-3-methyl-1-(2-methyl-1H-imidazol-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The CAS number of 2-isopentyl-3-methyl-1-(2-methyl-1H-imidazol-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is 442572-96-5.
What is the molecular formula of 2-isopentyl-3-methyl-1-(2-methyl-1H-imidazol-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The molecular formula of 2-isopentyl-3-methyl-1-(2-methyl-1H-imidazol-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is C22H23N5.
What is the molecular weight of 2-isopentyl-3-methyl-1-(2-methyl-1H-imidazol-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The molecular weight of 2-isopentyl-3-methyl-1-(2-methyl-1H-imidazol-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is 357.20 g/mol.
Where can I buy 2-isopentyl-3-methyl-1-(2-methyl-1H-imidazol-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
You can request a quote for 2-isopentyl-3-methyl-1-(2-methyl-1H-imidazol-1-yl)benzo[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 2-isopentyl-3-methyl-1-(2-methyl-1H-imidazol-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-isopentyl-3-methyl-1-(2-methyl-1H-imidazol-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.