![3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidyl]-2-oxo-benzoimidazol-1-yl]propanenitrile structure](/static/products/6449/6449-60-1.webp)
3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidyl]-2-oxo-benzoimidazol-1-yl]propanenitrile
TL;DR: 3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidyl]-2-oxo-benzoimidazol-1-yl]propanenitrile (CAS 6449-60-1) is a chemical compound with molecular formula C23H25ClN4O and molecular weight 408.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]propanenitrile
Also Known As: 3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidyl]-2-oxo-benzoimidazol-1-yl]propanenitrile, 3-[3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]propanenitrile, 3-(3-{1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl}-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propanenitrile
| Molecular Formula | C23H25ClN4O |
|---|---|
| Molecular Weight | 408.17 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.1717 |
| Heavy Atoms | 29 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 6449-60-1 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)Cl)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CCC#N |
| InChIKey | SWWAVNFEFVMDAG-UHFFFAOYSA-N |
Product Overview
3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidyl]-2-oxo-benzoimidazol-1-yl]propanenitrile (CAS 6449-60-1), with molecular formula C23H25ClN4O and molecular weight 408.17 g/mol. IUPAC: 3-[3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]propanenitrile.
Chemical Property Profile of 3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidyl]-2-oxo-benzoimidazol-1-yl]propanenitrile
Property Insights of 3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidyl]-2-oxo-benzoimidazol-1-yl]propanenitrile
The XLogP value of 3.7 indicates that 3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidyl]-2-oxo-benzoimidazol-1-yl]propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidyl]-2-oxo-benzoimidazol-1-yl]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidyl]-2-oxo-benzoimidazol-1-yl]propanenitrile 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 3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidyl]-2-oxo-benzoimidazol-1-yl]propanenitrile?
The CAS number of 3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidyl]-2-oxo-benzoimidazol-1-yl]propanenitrile is 6449-60-1.
What is the molecular formula of 3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidyl]-2-oxo-benzoimidazol-1-yl]propanenitrile?
The molecular formula of 3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidyl]-2-oxo-benzoimidazol-1-yl]propanenitrile is C23H25ClN4O.
What is the molecular weight of 3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidyl]-2-oxo-benzoimidazol-1-yl]propanenitrile?
The molecular weight of 3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidyl]-2-oxo-benzoimidazol-1-yl]propanenitrile is 408.17 g/mol.
Where can I buy 3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidyl]-2-oxo-benzoimidazol-1-yl]propanenitrile?
You can request a quote for 3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidyl]-2-oxo-benzoimidazol-1-yl]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidyl]-2-oxo-benzoimidazol-1-yl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidyl]-2-oxo-benzoimidazol-1-yl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.