Compound Identification
SMILES
OC(=O)C(F)(F)F.CSC1=C(C=C(S1)C(N)=N)S(=O)(=O)C1=CC(Br)=C2N=CN(CC3=C(F)C=CC(N)=C3)C2=C1
InChIKey
InChIKey=AQOQAPIYEXBBEF-UHFFFAOYSA-N
Formula
C22H18BrF4N5O4S3
Mass
668.49
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
2,3,5-trisubstituted thiophenes Aniline and substituted anilines Alkylarylthioethers Fluorobenzenes Aryl bromides Aryl fluorides N-substituted imidazoles Heteroaromatic compounds Sulfones Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Carboxamidines Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organofluorides Carbonyl compounds Alkyl fluorides Primary amines Organic oxides Organobromides
Molecular Framework
Not available
Substituents
Benzimidazole - Aryl thioether - Aniline or substituted anilines - 2,3,5-trisubstituted thiophene - Halobenzene - Fluorobenzene - Alkylarylthioether - N-substituted imidazole - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Thiophene - Azole - Sulfonyl - Sulfone - Heteroaromatic compound - Alpha-halocarboxylic acid or derivatives - Imidazole - Alpha-halocarboxylic acid - Amidine - Azacycle - Sulfenyl compound - Carboximidamide - Thioether - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organic oxide - Primary amine - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Organobromide - Organofluoride - 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