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2-(1H-Benzo[d]imidazol-2-yl)-3-(5-bromo-1H-indol-3-yl)acrylonitrile
TL;DR: 2-(1H-Benzo[d]imidazol-2-yl)-3-(5-bromo-1H-indol-3-yl)acrylonitrile (CAS 452090-89-0) is a chemical compound with molecular formula C18H11BrN4 and molecular weight 362.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)-3-(5-bromo-1H-indol-3-yl)prop-2-enenitrile
Also Known As: 2-(1H-Benzo[d]imidazol-2-yl)-3-(5-bromo-1H-indol-3-yl)acrylonitrile, 2-(1H-1,3-benzodiazol-2-yl)-3-(5-bromo-1H-indol-3-yl)prop-2-enenitrile
| Molecular Formula | C18H11BrN4 |
|---|---|
| Molecular Weight | 362.02 g/mol |
| LogP | 4.87088 |
| Topological Polar Surface Area | 68.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.01672 |
| Heavy Atoms | 23 |
| Complexity | 1062.0615 |
Chemical Identifiers
| CAS Number | 452090-89-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C(=CC3=CNC4=C3C=C(C=C4)Br)C#N |
Product Overview
2-(1H-Benzo[d]imidazol-2-yl)-3-(5-bromo-1H-indol-3-yl)acrylonitrile (CAS 452090-89-0), with molecular formula C18H11BrN4 and molecular weight 362.02 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-3-(5-bromo-1H-indol-3-yl)prop-2-enenitrile.
Chemical Property Profile of 2-(1H-Benzo[d]imidazol-2-yl)-3-(5-bromo-1H-indol-3-yl)acrylonitrile
Property Insights of 2-(1H-Benzo[d]imidazol-2-yl)-3-(5-bromo-1H-indol-3-yl)acrylonitrile
The XLogP value of 4.87088 indicates that 2-(1H-Benzo[d]imidazol-2-yl)-3-(5-bromo-1H-indol-3-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-Benzo[d]imidazol-2-yl)-3-(5-bromo-1H-indol-3-yl)acrylonitrile. Following Lipinski's Rule of Five, 2-(1H-Benzo[d]imidazol-2-yl)-3-(5-bromo-1H-indol-3-yl)acrylonitrile has 2 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-(1H-Benzo[d]imidazol-2-yl)-3-(5-bromo-1H-indol-3-yl)acrylonitrile?
The CAS number of 2-(1H-Benzo[d]imidazol-2-yl)-3-(5-bromo-1H-indol-3-yl)acrylonitrile is 452090-89-0.
What is the molecular formula of 2-(1H-Benzo[d]imidazol-2-yl)-3-(5-bromo-1H-indol-3-yl)acrylonitrile?
The molecular formula of 2-(1H-Benzo[d]imidazol-2-yl)-3-(5-bromo-1H-indol-3-yl)acrylonitrile is C18H11BrN4.
What is the molecular weight of 2-(1H-Benzo[d]imidazol-2-yl)-3-(5-bromo-1H-indol-3-yl)acrylonitrile?
The molecular weight of 2-(1H-Benzo[d]imidazol-2-yl)-3-(5-bromo-1H-indol-3-yl)acrylonitrile is 362.02 g/mol.
Where can I buy 2-(1H-Benzo[d]imidazol-2-yl)-3-(5-bromo-1H-indol-3-yl)acrylonitrile?
You can request a quote for 2-(1H-Benzo[d]imidazol-2-yl)-3-(5-bromo-1H-indol-3-yl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-Benzo[d]imidazol-2-yl)-3-(5-bromo-1H-indol-3-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-Benzo[d]imidazol-2-yl)-3-(5-bromo-1H-indol-3-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.