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alpha-Phenyl-alpha-(p-trifluoromethylphenyl)imidazole-2-methanol

HCID 12433853
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
OC(c1ccccc1)(c1ccc(C(F)(F)F)cc1)c1ncc[nH]1
InChIKey
DEFKMHHJLQVASC-UHFFFAOYSA-N
Molecular formula
C17H13F3N2O
Average molar mass
318.29 g/mol
Monoisotopic mass
318.09799753

Names & identifiers

Preferred name
alpha-Phenyl-alpha-(p-trifluoromethylphenyl)imidazole-2-methanol
IUPAC
1H-imidazol-2-yl-phenyl-[4-(trifluoromethyl)phenyl]methanol

Names & synonyms

alpha-Phenyl-alpha-(p-trifluoromethylphenyl)imidazole-2-methanolSCHEMBL11533232AM-814/410917341H-imidazol-2-yl(phenyl)[4-(trifluoromethyl)phenyl]methanol

Database identifiers

PubChem CID
12433853

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
48.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Formal charge
0
Complexity
390

Related reactions

2 records
New reaction record
HRID 106844 reaction equation
HRID 106844As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 261948 reaction equation
HRID 261948As productuspto-grants-1979_05

Compound notes

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