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

C16H14F3N3O3S — CID 22997784

IUPAC3-(4-methylsulfonylphenyl)-2-pyridin-4-yl-5-(trifluoromethyl)-4H-imidazol-5-ol
SMILESCS(=O)(=O)c1ccc(N2CC(O)(C(F)(F)F)N=C2c2ccncc2)cc1
InChIInChI=1S/C16H14F3N3O3S/c1-26(24,25)13-4-2-12(3-5-13)22-10-15(23,16(17,18)19)21-14(22)11-6-8-20-9-7-11/h2-9,23H,10H2,1H3
InChIKeyXDDTVTHSINLVMP-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.00
Rot. Bonds3

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

3-(4-methylsulfonylphenyl)-2-pyridin-4-yl-5-(trifluoromethyl)-4H-imidazol-5-ol (PubChem CID 22997784) has the molecular formula C16H14F3N3O3S and a molecular weight of 385.37 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-2-pyridin-4-yl-5-(trifluoromethyl)-4H-imidazol-5-ol.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-2-pyridin-4-yl-5-(trifluoromethyl)-4H-imidazol-5-ol
PubChem CID22997784
Molecular FormulaC16H14F3N3O3S
Molecular Weight385.37 g/mol
Exact Mass385.07
IUPAC Name3-(4-methylsulfonylphenyl)-2-pyridin-4-yl-5-(trifluoromethyl)-4H-imidazol-5-ol
SMILESCS(=O)(=O)c1ccc(N2CC(O)(C(F)(F)F)N=C2c2ccncc2)cc1
InChIInChI=1S/C16H14F3N3O3S/c1-26(24,25)13-4-2-12(3-5-13)22-10-15(23,16(17,18)19)21-14(22)11-6-8-20-9-7-11/h2-9,23H,10H2,1H3
InChIKeyXDDTVTHSINLVMP-UHFFFAOYSA-N
XLogP2.00
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-2-pyridin-4-yl-5-(trifluoromethyl)-4H-imidazol-5-ol?
The IUPAC name of 3-(4-methylsulfonylphenyl)-2-pyridin-4-yl-5-(trifluoromethyl)-4H-imidazol-5-ol (CID 22997784) is 3-(4-methylsulfonylphenyl)-2-pyridin-4-yl-5-(trifluoromethyl)-4H-imidazol-5-ol.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-2-pyridin-4-yl-5-(trifluoromethyl)-4H-imidazol-5-ol?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-2-pyridin-4-yl-5-(trifluoromethyl)-4H-imidazol-5-ol is CS(=O)(=O)c1ccc(N2CC(O)(C(F)(F)F)N=C2c2ccncc2)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-2-pyridin-4-yl-5-(trifluoromethyl)-4H-imidazol-5-ol?
The InChIKey is XDDTVTHSINLVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3S/c1-26(24,25)13-4-2-12(3-5-13)22-10-15(23,16(17,18)19)21-14(22)11-6-8-20-9-7-11/h2-9,23H,10H2,1H3.
What are the key properties of 3-(4-methylsulfonylphenyl)-2-pyridin-4-yl-5-(trifluoromethyl)-4H-imidazol-5-ol?
3-(4-methylsulfonylphenyl)-2-pyridin-4-yl-5-(trifluoromethyl)-4H-imidazol-5-ol has a molecular weight of 385.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-2-pyridin-4-yl-5-(trifluoromethyl)-4H-imidazol-5-ol is sourced from PubChem (CID 22997784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).