Compound Identification
SMILES
COC(=O)NC1=NC2=CC=CC=C2N1.OC(CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=CC=CC=C1F
InChIKey
InChIKey=CIYMULYYXFTYFR-UHFFFAOYSA-N
Formula
C25H22F2N6O3
Mass
492.487
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
Diphenylmethanes Fluorobenzenes Aryl fluorides Triazoles Tertiary alcohols Imidazoles Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Not available
Substituents
2-benzimidazolylcarbamic acid ester - Diphenylmethane - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Carbamic acid ester - 1,2,4-triazole - Tertiary alcohol - Imidazole - Azole - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alcohol - 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