Bis-(4-chloro-phenyl)-(1H-imidazol-2-yl)-methanol

HCID 12433870

Notes Reactions

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Basic information

Standard SMILES: OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ncc[nH]1
InChIKey: IQBWTZMAYRSYJV-UHFFFAOYSA-N
Molecular formula: C16H12Cl2N2O
Average molar mass: 319.2 g/mol

Names & identifiers

Preferred name: Bis-(4-chloro-phenyl)-(1H-imidazol-2-yl)-methanol
IUPAC: bis(4-chlorophenyl)-(1H-imidazol-2-yl)methanol

Names & synonyms

CHEMBL135540SCHEMBL11531968IQBWTZMAYRSYJV-UHFFFAOYSA-NBDBM50014770alpha,alpha-bis(p-chlorophenyl)imidazole-2-methanolBis-(4-chloro-phenyl)-(1H-imidazol-2-yl)-methanol

Database identifiers

PubChem CID: 12433870
ChEMBL: CHEMBL135540
Nikkaji: J272.161I

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 48.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 317

Related reactions

8 records

New reaction record

HRID 185124As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 189760As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 261938As productuspto-grants-1979_05

HRID 261971As reactantuspto-grants-1979_05

HRID 261973As reactantuspto-grants-1979_05

HRID 261975As reactantuspto-grants-1979_05

HRID 1561051As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2347088As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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