Compound Identification
SMILES
CC(C(=O)NC1=CC(Cl)=C(C=C1)N1C(=O)OCC1(C)C)C1=NC2=C(N1)C=C(Br)C=C2
InChIKey
InChIKey=XIQYEXXFSKJVQK-UHFFFAOYSA-N
Formula
C21H20BrClN4O3
Mass
491.77
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
Anilides N-arylamides Chlorobenzenes Oxazolidinones Aryl bromides Aryl chlorides Imidazoles Heteroaromatic compounds Carbamate esters Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Anilide - N-arylamide - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxazolidinone - Azole - Heteroaromatic compound - Carbamic acid ester - Oxazolidine - Imidazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Oxacycle - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organochloride - 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