3-(4-bromophenyl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol

C17H14BrF3N2O3S — CID 22997835

IUPAC3-(4-bromophenyl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
SMILESCS(=O)(=O)c1ccc(C2=NC(O)(C(F)(F)F)CN2c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H14BrF3N2O3S/c1-27(25,26)14-8-2-11(3-9-14)15-22-16(24,17(19,20)21)10-23(15)13-6-4-12(18)5-7-13/h2-9,24H,10H2,1H3
InChIKeyUHZOFQQCFOXSQT-UHFFFAOYSA-N
MW463.28 g/mol
LogP3.37
Rot. Bonds3

About 3-(4-bromophenyl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol

3-(4-bromophenyl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol (PubChem CID 22997835) has the molecular formula C17H14BrF3N2O3S and a molecular weight of 463.28 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
PubChem CID22997835
Molecular FormulaC17H14BrF3N2O3S
Molecular Weight463.28 g/mol
Exact Mass461.99
IUPAC Name3-(4-bromophenyl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
SMILESCS(=O)(=O)c1ccc(C2=NC(O)(C(F)(F)F)CN2c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H14BrF3N2O3S/c1-27(25,26)14-8-2-11(3-9-14)15-22-16(24,17(19,20)21)10-23(15)13-6-4-12(18)5-7-13/h2-9,24H,10H2,1H3
InChIKeyUHZOFQQCFOXSQT-UHFFFAOYSA-N
XLogP3.37
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 22998217
2-(4-ethylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 22998091
2-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 10788846
2-(1,3-benzodioxol-5-yl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 10598616
2-(3-chloro-4-methylsulfanylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 10742801
4-[2-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 22998209
4-[3-(3-fluoro-4-methoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-2-yl]benzenesulfonamide
CID 22997697
5-(4-bromophenyl)-3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol
CID 67636123
5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol
CID 22997878
1-[2-(4-chlorophenyl)-5-hydroxy-3-(4-methylsulfonylphenyl)-4H-imidazol-5-yl]heptan-1-one
CID 22998051
2-(4-chlorophenyl)-5,5-bis(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-4H-imidazole
CID 22998078
4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 162579127

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol?
The IUPAC name of 3-(4-bromophenyl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol (CID 22997835) is 3-(4-bromophenyl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol.
What is the SMILES notation for 3-(4-bromophenyl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol?
The canonical SMILES for 3-(4-bromophenyl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol is CS(=O)(=O)c1ccc(C2=NC(O)(C(F)(F)F)CN2c2ccc(Br)cc2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol?
The InChIKey is UHZOFQQCFOXSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF3N2O3S/c1-27(25,26)14-8-2-11(3-9-14)15-22-16(24,17(19,20)21)10-23(15)13-6-4-12(18)5-7-13/h2-9,24H,10H2,1H3.
What are the key properties of 3-(4-bromophenyl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol?
3-(4-bromophenyl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol has a molecular weight of 463.28 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol is sourced from PubChem (CID 22997835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).