4-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile

HCID 67404902

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCc1nc2c(Cl)c(C#N)ccc2[nH]1
InChIKey: OHBYCIWIXZYBPW-UHFFFAOYSA-N
Molecular formula: C10H8ClN3
Average molar mass: 205.64 g/mol

Names & identifiers

Preferred name: 4-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile
IUPAC: 4-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile

Names & synonyms

SCHEMBL2430568OHBYCIWIXZYBPW-UHFFFAOYSA-N4-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile

Database identifiers

PubChem CID: 67404902

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 52.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 259

Related reactions

24 records

New reaction record

HRID 112018As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 201532As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 691105As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 828852As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 913569As productuspto-grants-2011_09

HRID 913570As reactantuspto-grants-2011_09

HRID 913571As reactantuspto-grants-2011_09

HRID 913572As reactantuspto-grants-2011_09

Compound notes

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