Compound Identification
SMILES
CCN1\C(NC2=CC=CC=C12)=C(/C#N)C1=NC(NC(=O)C2CN(CCO2)C(C)=O)=NC=C1C
InChIKey
InChIKey=XFVQELOCUVVHQJ-LTGZKZEYSA-N
Formula
C23H25N7O3
Mass
447.499
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
Morpholine carboxylic acids and derivatives N-arylamides Pyrimidines and pyrimidine derivatives Benzenoids Tertiary carboxylic acid amides Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Ketene acetals Oxacyclic compounds Nitriles Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Morpholine-2-carboxylic acid or derivatives - N-arylamide - Morpholine - Oxazinane - Pyrimidine - Benzenoid - Heteroaromatic compound - Acetamide - Tertiary carboxylic acid amide - Carboxamide group - Ketene acetal or derivatives - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organic oxide - Cyanide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - 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