Compound Identification
SMILES
COC(=O)NC1=NC2=CC=CC=C2N1C(=N)OCC(Br)(Br)Br
InChIKey
InChIKey=BGDHGXNSYSBOOI-UHFFFAOYSA-N
Formula
C12H11Br3N4O3
Mass
498.957
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzimidazoles
- Subclass 2-benzimidazolylcarbamic acid esters
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Class
Benzimidazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
2-benzimidazolylcarbamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
2-benzimidazolylcarbamic acid esters
Alternative Parents
N-substituted imidazoles Benzenoids Heteroaromatic compounds Carbamate esters Isoureas Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-benzimidazolylcarbamic acid ester - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Carbamic acid ester - Isourea - Carboximidic acid derivative - Azacycle - Alkyl bromide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Imine - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-benzimidazolylcarbamic acid esters. These are aromatic heteropolycyclic compounds that contain a carbamic acid ester group, which is N-linked to the C2-atom of a benzimidazole moiety.
External Descriptors
Not available