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

C18H16F4N2O4S — CID 10788846

IUPAC2-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
SMILESCOc1ccc(C2=NC(O)(C(F)(F)F)CN2c2ccc(S(C)(=O)=O)cc2)cc1F
InChIInChI=1S/C18H16F4N2O4S/c1-28-15-8-3-11(9-14(15)19)16-23-17(25,18(20,21)22)10-24(16)12-4-6-13(7-5-12)29(2,26)27/h3-9,25H,10H2,1-2H3
InChIKeyKZZUHZZAWAEMIZ-UHFFFAOYSA-N
MW432.40 g/mol
LogP2.76
Rot. Bonds4

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

2-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol (PubChem CID 10788846) has the molecular formula C18H16F4N2O4S and a molecular weight of 432.40 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
PubChem CID10788846
Molecular FormulaC18H16F4N2O4S
Molecular Weight432.40 g/mol
Exact Mass432.08
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
SMILESCOc1ccc(C2=NC(O)(C(F)(F)F)CN2c2ccc(S(C)(=O)=O)cc2)cc1F
InChIInChI=1S/C18H16F4N2O4S/c1-28-15-8-3-11(9-14(15)19)16-23-17(25,18(20,21)22)10-24(16)12-4-6-13(7-5-12)29(2,26)27/h3-9,25H,10H2,1-2H3
InChIKeyKZZUHZZAWAEMIZ-UHFFFAOYSA-N
XLogP2.76
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol (CID 10788846) is 2-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol is COc1ccc(C2=NC(O)(C(F)(F)F)CN2c2ccc(S(C)(=O)=O)cc2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol?
The InChIKey is KZZUHZZAWAEMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O4S/c1-28-15-8-3-11(9-14(15)19)16-23-17(25,18(20,21)22)10-24(16)12-4-6-13(7-5-12)29(2,26)27/h3-9,25H,10H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol?
2-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol has a molecular weight of 432.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol is sourced from PubChem (CID 10788846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).