Compound Identification
SMILES
BrC1=C(OCC(=O)N2CCOCC2)C=CC(C=C(C#N)C2=NC3=CC=CC=C3N2)=C1
InChIKey
InChIKey=QFOOMMRRPRXAFR-UHFFFAOYSA-N
Formula
C22H19BrN4O3
Mass
467.323
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
Phenoxy compounds Phenol ethers Alkyl aryl ethers Bromobenzenes Aryl bromides Morpholines Tertiary carboxylic acid amides Imidazoles Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Morpholine - Aryl bromide - Oxazinane - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Imidazole - Azole - Heteroaromatic compound - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organooxygen compound - Carbonyl group - Cyanide - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen 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