Compound Identification
SMILES
CCCCOC(=O)C1=C(C)NC2=NC3=CC=CC=C3N2[C@H]1C1=CC=C(Br)C=C1
InChIKey
InChIKey=XGKWZFUPQYYRKA-FQEVSTJZSA-N
Formula
C22H22BrN3O2
Mass
440.341
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
Bromobenzenes N-substituted imidazoles Aryl bromides Vinylogous amides Heteroaromatic compounds Enoate esters Monocarboxylic acids and derivatives Enamines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Enamine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen 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