2-(4-Chlorocinnamoyl)benzimidazole
TL;DR: 2-(4-Chlorocinnamoyl)benzimidazole (CAS 472962-73-5) is a chemical compound with molecular formula C16H11ClN2O and molecular weight 282.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)prop-2-en-1-one
Also Known As: 2-(4-Chlorocinnamoyl)benzimidazole, NCI60_040226, 1-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)prop-2-en-1-one, 1-(1H-Benzimidazol-2-yl)-3-(4-chlorophenyl)-2-propen-1-one, (E)-1-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)prop-2-en-1-o
| Molecular Formula | C16H11ClN2O |
|---|---|
| Molecular Weight | 282.06 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.056 |
| Heavy Atoms | 20 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 472962-73-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C(=O)C=CC3=CC=C(C=C3)Cl |
| InChIKey | VLOYJJMQBUMMMP-UHFFFAOYSA-N |
Product Overview
2-(4-Chlorocinnamoyl)benzimidazole (CAS 472962-73-5), with molecular formula C16H11ClN2O and molecular weight 282.06 g/mol. IUPAC: 1-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)prop-2-en-1-one.
Chemical Property Profile of 2-(4-Chlorocinnamoyl)benzimidazole
Property Insights of 2-(4-Chlorocinnamoyl)benzimidazole
The XLogP value of 4.2 indicates that 2-(4-Chlorocinnamoyl)benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 2-(4-Chlorocinnamoyl)benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorocinnamoyl)benzimidazole has 1 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 2-(4-Chlorocinnamoyl)benzimidazole?
The CAS number of 2-(4-Chlorocinnamoyl)benzimidazole is 472962-73-5.
What is the molecular formula of 2-(4-Chlorocinnamoyl)benzimidazole?
The molecular formula of 2-(4-Chlorocinnamoyl)benzimidazole is C16H11ClN2O.
What is the molecular weight of 2-(4-Chlorocinnamoyl)benzimidazole?
The molecular weight of 2-(4-Chlorocinnamoyl)benzimidazole is 282.06 g/mol.
Where can I buy 2-(4-Chlorocinnamoyl)benzimidazole?
You can request a quote for 2-(4-Chlorocinnamoyl)benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorocinnamoyl)benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorocinnamoyl)benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.