Compound Identification
SMILES
COC1=NC=C(NC2=NC(=NC(=N2)N2CCOCC2)N2C(=NC3=CC=CC=C23)C(F)F)C=C1
InChIKey
InChIKey=AUUAKLPTYJXQCE-UHFFFAOYSA-N
Formula
C21H20F2N8O2
Mass
454.442
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
1,3,5-triazine-2,4-diamines Dialkylarylamines Alkyl aryl ethers Aminopyridines and derivatives Morpholines Benzenoids 1,3,5-triazines N-substituted imidazoles Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Secondary amines Hydrocarbon derivatives Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - 2,4-diamine-s-triazine - Dialkylarylamine - Alkyl aryl ether - Aminopyridine - Amino-1,3,5-triazine - Aminotriazine - Morpholine - 1,3,5-triazine - Benzenoid - Triazine - N-substituted imidazole - Oxazinane - Pyridine - Heteroaromatic compound - Azole - Imidazole - Tertiary amine - Secondary amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Organofluoride - Alkyl halide - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen 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