(E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile
TL;DR: (E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile (CAS 1164528-33-9) is a chemical compound with molecular formula C18H14FN3O and molecular weight 307.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile
Also Known As: (E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile, 3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(4-fluorophenyl)acrylonitrile, (2E)-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile, (E)-2-(4-fluorophenyl)-3-(2-keto-1,3-dimethyl-benzimidazol-5-yl)acrylonitrile, (E)-3-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-2-(4-fluorophenyl)-2-propenenitrile
| Molecular Formula | C18H14FN3O |
|---|---|
| Molecular Weight | 307.11 g/mol |
| LogP | 3.08028 |
| Topological Polar Surface Area | 50.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.1121 |
| Heavy Atoms | 23 |
| Complexity | 1017.3318 |
Chemical Identifiers
| CAS Number | 1164528-33-9 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)/C=C(/C#N)\C3=CC=C(C=C3)F)N(C1=O)C |
Product Overview
(E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile (CAS 1164528-33-9), with molecular formula C18H14FN3O and molecular weight 307.11 g/mol. IUPAC: (E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile.
Chemical Property Profile of (E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile
Property Insights of (E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile
The XLogP value of 3.08028 indicates that (E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.72 Ų, (E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 2 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 (E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile?
The CAS number of (E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile is 1164528-33-9.
What is the molecular formula of (E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile?
The molecular formula of (E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile is C18H14FN3O.
What is the molecular weight of (E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile?
The molecular weight of (E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile is 307.11 g/mol.
Where can I buy (E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile?
You can request a quote for (E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.