Compound Identification
SMILES
NC(=O)OC1=CC=CC2=C1N=C(N2)N1CCCN(CCC2=CC=C(Br)C=C2)CC1
InChIKey
InChIKey=KVWZSCTTXGBIEZ-UHFFFAOYSA-N
Formula
C21H24BrN5O2
Mass
458.36
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
Phenethylamines Dialkylarylamines Bromobenzenes Aralkylamines 1,4-diazepanes Aryl bromides Aminoimidazoles Heteroaromatic compounds Carbamate esters Trialkylamines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Phenethylamine - Dialkylarylamine - 1,4-diazepane - Bromobenzene - Diazepane - Halobenzene - Aralkylamine - Aminoimidazole - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Azole - Imidazole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Amine - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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