2-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-3-(pentafluorophenyl)propanenitrile
TL;DR: 2-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-3-(pentafluorophenyl)propanenitrile (CAS 369607-67-0) is a chemical compound with molecular formula C17H8F5N3O and molecular weight 365.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylbenzimidazol-2-yl)-3-oxo-3-(2,3,4,5,6-pentafluorophenyl)propanenitrile
Also Known As: 2-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-3-(pentafluorophenyl)propanenitrile, 2-(1-methyl-1H-benzo[d]imidazol-2-yl)-3-oxo-3-(perfluorophenyl)propanenitrile, 2-(1-methylbenzimidazol-2-yl)-3-oxo-3-(2,3,4,5,6-pentafluorophenyl)propanenitrile
| Molecular Formula | C17H8F5N3O |
|---|---|
| Molecular Weight | 365.06 g/mol |
| LogP | 3.75888 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.05875 |
| Heavy Atoms | 26 |
| Complexity | 1070.947 |
Chemical Identifiers
| CAS Number | 369607-67-0 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=C(C(=C(C(=C3F)F)F)F)F |
Product Overview
2-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-3-(pentafluorophenyl)propanenitrile (CAS 369607-67-0), with molecular formula C17H8F5N3O and molecular weight 365.06 g/mol. IUPAC: 2-(1-methylbenzimidazol-2-yl)-3-oxo-3-(2,3,4,5,6-pentafluorophenyl)propanenitrile.
Chemical Property Profile of 2-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-3-(pentafluorophenyl)propanenitrile
Property Insights of 2-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-3-(pentafluorophenyl)propanenitrile
The XLogP value of 3.75888 indicates that 2-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-3-(pentafluorophenyl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, 2-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-3-(pentafluorophenyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-3-(pentafluorophenyl)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 2-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-3-(pentafluorophenyl)propanenitrile?
The CAS number of 2-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-3-(pentafluorophenyl)propanenitrile is 369607-67-0.
What is the molecular formula of 2-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-3-(pentafluorophenyl)propanenitrile?
The molecular formula of 2-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-3-(pentafluorophenyl)propanenitrile is C17H8F5N3O.
What is the molecular weight of 2-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-3-(pentafluorophenyl)propanenitrile?
The molecular weight of 2-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-3-(pentafluorophenyl)propanenitrile is 365.06 g/mol.
Where can I buy 2-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-3-(pentafluorophenyl)propanenitrile?
You can request a quote for 2-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-3-(pentafluorophenyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-3-(pentafluorophenyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-3-(pentafluorophenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.