Compound Identification
SMILES
COc1nc(NCC#N)nc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
InChIKey
InChIKey=KBAFRYQOOQHQKY-UHFFFAOYSA-N
Formula
C19H16N8O2
Mass
388.391
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
m-Aminophenols Aniline and substituted anilines 2-methoxy-1,3,5-triazines N-aliphatic s-triazines Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids N-substituted imidazoles Aminoimidazoles Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - 2-methoxy-1,3,5-triazine - M-aminophenol - Alkoxy-s-triazine - Aminophenol - Aniline or substituted anilines - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Amino-1,3,5-triazine - Aminotriazine - Phenol - N-aliphatic s-triazine - Aminoimidazole - Monocyclic benzene moiety - N-substituted imidazole - Triazine - 1,3,5-triazine - Benzenoid - Imidazole - Heteroaromatic compound - Azole - Nitrile - Carbonitrile - Ether - Azacycle - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Cyanide - 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