Compound Identification
SMILES
CCN(CC)C1=CC(OCC2=CC=C(Cl)C=C2)=C(\C=C(/C#N)C2=NC3=C(N2)C=C(C)C=C3)C=C1
InChIKey
InChIKey=IMHMYFDRVCRITL-PXLXIMEGSA-N
Formula
C28H27ClN4O
Mass
471.0
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
Aminophenyl ethers Phenoxy compounds Dialkylarylamines Aniline and substituted anilines Chlorobenzenes Alkyl aryl ethers Aryl chlorides Imidazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Aminophenyl ether - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Phenoxy compound - Alkyl aryl ether - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Azole - Imidazole - Tertiary amine - Azacycle - Ether - Carbonitrile - Nitrile - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organochloride - Organohalogen compound - 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