2-chloro-6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzoimidazole

HCID 11638867

Notes Reactions

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Basic information

Standard SMILES: Fc1cc(-c2cc(C(F)(F)F)cc3[nH]c(Cl)nc23)cc(F)c1F
InChIKey: AHNDIFIJDQQBBB-UHFFFAOYSA-N
Molecular formula: C14H5ClF6N2
Average molar mass: 350.64 g/mol
Monoisotopic mass: 350.0045448

Names & identifiers

Preferred name: 2-chloro-6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzoimidazole
IUPAC: 2-chloro-6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzimidazole

Names & synonyms

2-chloro-6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzoimidazoleSCHEMBL2420404SCHEMBL24209182-chloro-5-trifluoromethyl-7-(3,4,5-trifluoro-phenyl)-1H-benzoimidazole2-chloro-6-trifluoromethyl-4-(3,4,5-trifluoro-phenyl)-1H-benzoimidazole

Database identifiers

PubChem CID: 11638867

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 1
Heavy atoms: 23
Formal charge: 0
Complexity: 424

Related reactions

39 records

New reaction record

HRID 167665As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 202139As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 314815As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 316347As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 671352As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 673165As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 689441As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 730760As productuspto-grants-2009_09

Compound notes

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