Compound Identification
SMILES
CCOC(=O)C1=C(NC2=CC=CC=C2N)N=C(N)C(=C1)C1=NC2=CC=CC=C2N1
InChIKey
InChIKey=BPECGRQXWOPTEC-UHFFFAOYSA-N
Formula
C21H20N6O2
Mass
388.431
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
Pyridinecarboxylic acids Aniline and substituted anilines Aminopyridines and derivatives Imidolactams Vinylogous amides Imidazoles Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Secondary amines Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aniline or substituted anilines - Aminopyridine - Imidolactam - Benzenoid - Pyridine - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Secondary amine - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen 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