4-bromo-2-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]phenol

C17H12BrF3N2O — CID 174628995

IUPAC4-bromo-2-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]phenol
SMILESOc1ccc(Br)cc1-c1cn(Cc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C17H12BrF3N2O/c18-12-5-6-16(24)13(7-12)15-9-23(10-22-15)8-11-3-1-2-4-14(11)17(19,20)21/h1-7,9-10,24H,8H2
InChIKeyUTXXDDJNOBMRLE-UHFFFAOYSA-N
MW397.19 g/mol
LogP5.09
Rot. Bonds3

About 4-bromo-2-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]phenol

4-bromo-2-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]phenol (PubChem CID 174628995) has the molecular formula C17H12BrF3N2O and a molecular weight of 397.19 g/mol. Its IUPAC name is 4-bromo-2-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]phenol
PubChem CID174628995
Molecular FormulaC17H12BrF3N2O
Molecular Weight397.19 g/mol
Exact Mass396.01
IUPAC Name4-bromo-2-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]phenol
SMILESOc1ccc(Br)cc1-c1cn(Cc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C17H12BrF3N2O/c18-12-5-6-16(24)13(7-12)15-9-23(10-22-15)8-11-3-1-2-4-14(11)17(19,20)21/h1-7,9-10,24H,8H2
InChIKeyUTXXDDJNOBMRLE-UHFFFAOYSA-N
XLogP5.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.19
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole
CID 114204847
2-[[5-bromo-2-(trifluoromethyl)anilino]methyl]phenol
CID 107286631
4-bromo-2-(2-hydroxyphenyl)phenol
CID 11219298
2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-4-carbonitrile
CID 90407518
6-(3-bromophenyl)-9-[[2-(trifluoromethyl)phenyl]methyl]purine
CID 177498781
N'-methyl-N-methylidene-2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboximidamide
CID 123459408
4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 65468894
2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 121290275
4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one
CID 172685270
methyl 2-[[4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoate
CID 141094208
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
6-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 82564742

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]phenol?
The IUPAC name of 4-bromo-2-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]phenol (CID 174628995) is 4-bromo-2-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]phenol.
What is the SMILES notation for 4-bromo-2-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]phenol?
The canonical SMILES for 4-bromo-2-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]phenol is Oc1ccc(Br)cc1-c1cn(Cc2ccccc2C(F)(F)F)cn1.
What is the InChIKey of 4-bromo-2-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]phenol?
The InChIKey is UTXXDDJNOBMRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrF3N2O/c18-12-5-6-16(24)13(7-12)15-9-23(10-22-15)8-11-3-1-2-4-14(11)17(19,20)21/h1-7,9-10,24H,8H2.
What are the key properties of 4-bromo-2-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]phenol?
4-bromo-2-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]phenol has a molecular weight of 397.19 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]phenol is sourced from PubChem (CID 174628995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).