Compound Identification
SMILES
COC1=CC=C(CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2C2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=NQHGDFKJXLBVIU-UHFFFAOYSA-N
Formula
C22H16BrF3N2O
Mass
461.282
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzimidazoles
- Subclass Phenylbenzimidazoles
-
Class
Benzimidazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
Phenylbenzimidazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbenzimidazoles
Alternative Parents
Phenylimidazoles Phenoxy compounds Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers N-substituted imidazoles Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbenzimidazole - 2-phenylimidazole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Ether - Azacycle - Alkyl halide - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.
External Descriptors
Not available