1-(2-methylsulfonylimidazol-1-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-ol

C14H15F3N2O3S — CID 84590420

IUPAC1-(2-methylsulfonylimidazol-1-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-ol
SMILESCS(=O)(=O)c1nccn1CC(O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H15F3N2O3S/c1-23(21,22)13-18-6-7-19(13)9-11(20)8-10-4-2-3-5-12(10)14(15,16)17/h2-7,11,20H,8-9H2,1H3
InChIKeyPMMLEKJHOINFCZ-UHFFFAOYSA-N
MW348.35 g/mol
LogP1.91
Rot. Bonds5

About 1-(2-methylsulfonylimidazol-1-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-ol

1-(2-methylsulfonylimidazol-1-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 84590420) has the molecular formula C14H15F3N2O3S and a molecular weight of 348.35 g/mol. Its IUPAC name is 1-(2-methylsulfonylimidazol-1-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylsulfonylimidazol-1-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID84590420
Molecular FormulaC14H15F3N2O3S
Molecular Weight348.35 g/mol
Exact Mass348.08
IUPAC Name1-(2-methylsulfonylimidazol-1-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-ol
SMILESCS(=O)(=O)c1nccn1CC(O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H15F3N2O3S/c1-23(21,22)13-18-6-7-19(13)9-11(20)8-10-4-2-3-5-12(10)14(15,16)17/h2-7,11,20H,8-9H2,1H3
InChIKeyPMMLEKJHOINFCZ-UHFFFAOYSA-N
XLogP1.91
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 109411507
3-[2-hydroxy-3-[2-(trifluoromethyl)phenyl]propyl]pyrido[3,4-d]pyrimidin-4-one
CID 84599267
1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole
CID 94696998
(2S)-1-(4-nitroimidazol-1-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 97239732
(1S)-1-(3-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)ethanol
CID 97243157
(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-methylsulfonylimidazol-1-yl)propan-2-ol
CID 97243145
2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]acetic acid
CID 82560307
1-[2-(trifluoromethyl)phenyl]butane-2,3-diol
CID 175401448
2-amino-3-[2-(trifluoromethyl)phenyl]propane-1,1-diol
CID 135188548
N-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine
CID 82558534
2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole
CID 175147349
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylimidazol-1-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-(2-methylsulfonylimidazol-1-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-ol (CID 84590420) is 1-(2-methylsulfonylimidazol-1-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-(2-methylsulfonylimidazol-1-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-(2-methylsulfonylimidazol-1-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-ol is CS(=O)(=O)c1nccn1CC(O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(2-methylsulfonylimidazol-1-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is PMMLEKJHOINFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3S/c1-23(21,22)13-18-6-7-19(13)9-11(20)8-10-4-2-3-5-12(10)14(15,16)17/h2-7,11,20H,8-9H2,1H3.
What are the key properties of 1-(2-methylsulfonylimidazol-1-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-ol?
1-(2-methylsulfonylimidazol-1-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 348.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylimidazol-1-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 84590420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).