Compound Identification
SMILES
CC1=NC(CN2C(NCC3COC(C)(C)O3)=NC3=C2C=C(CO)C=C3)=C(O)C=C1
InChIKey
InChIKey=UFRWEZQEBNIMHD-UHFFFAOYSA-N
Formula
C21H26N4O4
Mass
398.463
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
Secondary alkylarylamines Methylpyridines Ketals Hydroxypyridines N-substituted imidazoles Benzenoids Aminoimidazoles Heteroaromatic compounds 1,3-dioxolanes Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Secondary aliphatic/aromatic amine - Hydroxypyridine - Methylpyridine - Ketal - Aminoimidazole - N-substituted imidazole - Pyridine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Meta-dioxolane - Acetal - Oxacycle - Azacycle - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Alcohol - Aromatic alcohol - 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