Compound Identification
SMILES
CC1=NC(CN2C(NC3CCN(CCN)CC3)=NC3=C2C=C(C=C3)[N+]([O-])=O)=CC=C1
InChIKey
InChIKey=BZKXZNJYCJHVOG-UHFFFAOYSA-N
Formula
C21H27N7O2
Mass
409.494
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
Nitroaromatic compounds Methylpyridines Piperidines Aminoimidazoles Benzenoids N-substituted imidazoles Heteroaromatic compounds Trialkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic salts Hydrocarbon derivatives Monoalkylamines Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Nitroaromatic compound - Methylpyridine - Aminoimidazole - N-substituted imidazole - Piperidine - Pyridine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic salt - Primary amine - Organic nitrogen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic cation - 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