Compound Identification
SMILES
CCC1=NC2=CC=CC=C2N1CN1C(C)=C(C(C2=CC=CC=C2Cl)C(C(=O)OC)=C1C)C(=O)OC
InChIKey
InChIKey=KHEQQCAWGFQYCK-UHFFFAOYSA-N
Formula
C27H28ClN3O4
Mass
493.99
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
Dihydropyridinecarboxylic acids and derivatives Chlorobenzenes N-substituted imidazoles Dicarboxylic acids and derivatives Aryl chlorides Vinylogous amides Methyl esters Heteroaromatic compounds Enoate esters Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Dihydropyridinecarboxylic acid derivative - Chlorobenzene - Dihydropyridine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydropyridine - N-substituted imidazole - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - 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