Compound Identification
SMILES
CC1=NN(CC2=CC=CC=C2Cl)C(Cl)=C1C(=O)OCC1=NC2=C(C=C(Cl)C=C2)N1CCO
InChIKey
InChIKey=JNRXMICZIZUDBO-UHFFFAOYSA-N
Formula
C22H19Cl3N4O3
Mass
493.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzimidazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzimidazoles
Alternative Parents
Pyrazole carboxylic acids and derivatives Chlorobenzenes N-substituted imidazoles Aryl chlorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Alkanolamines Primary alcohols Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Pyrazole-4-carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Vinylogous halide - Pyrazole - Carboxylic acid ester - Azacycle - Alkanolamine - Carboxylic acid derivative - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors
Not available