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

C17H16F3N3O3S — CID 67694258

IUPAC3-(4-ethylsulfonylphenyl)-2-pyridin-2-yl-5-(trifluoromethyl)-4H-imidazol-5-ol
SMILESCCS(=O)(=O)c1ccc(N2CC(O)(C(F)(F)F)N=C2c2ccccn2)cc1
InChIInChI=1S/C17H16F3N3O3S/c1-2-27(25,26)13-8-6-12(7-9-13)23-11-16(24,17(18,19)20)22-15(23)14-5-3-4-10-21-14/h3-10,24H,2,11H2,1H3
InChIKeyLHMPFGFWODPBIE-UHFFFAOYSA-N
MW399.39 g/mol
LogP2.39
Rot. Bonds4

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

3-(4-ethylsulfonylphenyl)-2-pyridin-2-yl-5-(trifluoromethyl)-4H-imidazol-5-ol (PubChem CID 67694258) has the molecular formula C17H16F3N3O3S and a molecular weight of 399.39 g/mol. Its IUPAC name is 3-(4-ethylsulfonylphenyl)-2-pyridin-2-yl-5-(trifluoromethyl)-4H-imidazol-5-ol.

Molecular Properties

Compound Name3-(4-ethylsulfonylphenyl)-2-pyridin-2-yl-5-(trifluoromethyl)-4H-imidazol-5-ol
PubChem CID67694258
Molecular FormulaC17H16F3N3O3S
Molecular Weight399.39 g/mol
Exact Mass399.09
IUPAC Name3-(4-ethylsulfonylphenyl)-2-pyridin-2-yl-5-(trifluoromethyl)-4H-imidazol-5-ol
SMILESCCS(=O)(=O)c1ccc(N2CC(O)(C(F)(F)F)N=C2c2ccccn2)cc1
InChIInChI=1S/C17H16F3N3O3S/c1-2-27(25,26)13-8-6-12(7-9-13)23-11-16(24,17(18,19)20)22-15(23)14-5-3-4-10-21-14/h3-10,24H,2,11H2,1H3
InChIKeyLHMPFGFWODPBIE-UHFFFAOYSA-N
XLogP2.39
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylsulfonylphenyl)-2-pyridin-2-yl-5-(trifluoromethyl)-4H-imidazol-5-ol?
The IUPAC name of 3-(4-ethylsulfonylphenyl)-2-pyridin-2-yl-5-(trifluoromethyl)-4H-imidazol-5-ol (CID 67694258) is 3-(4-ethylsulfonylphenyl)-2-pyridin-2-yl-5-(trifluoromethyl)-4H-imidazol-5-ol.
What is the SMILES notation for 3-(4-ethylsulfonylphenyl)-2-pyridin-2-yl-5-(trifluoromethyl)-4H-imidazol-5-ol?
The canonical SMILES for 3-(4-ethylsulfonylphenyl)-2-pyridin-2-yl-5-(trifluoromethyl)-4H-imidazol-5-ol is CCS(=O)(=O)c1ccc(N2CC(O)(C(F)(F)F)N=C2c2ccccn2)cc1.
What is the InChIKey of 3-(4-ethylsulfonylphenyl)-2-pyridin-2-yl-5-(trifluoromethyl)-4H-imidazol-5-ol?
The InChIKey is LHMPFGFWODPBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3S/c1-2-27(25,26)13-8-6-12(7-9-13)23-11-16(24,17(18,19)20)22-15(23)14-5-3-4-10-21-14/h3-10,24H,2,11H2,1H3.
What are the key properties of 3-(4-ethylsulfonylphenyl)-2-pyridin-2-yl-5-(trifluoromethyl)-4H-imidazol-5-ol?
3-(4-ethylsulfonylphenyl)-2-pyridin-2-yl-5-(trifluoromethyl)-4H-imidazol-5-ol has a molecular weight of 399.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylsulfonylphenyl)-2-pyridin-2-yl-5-(trifluoromethyl)-4H-imidazol-5-ol is sourced from PubChem (CID 67694258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).