3-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one

C17H15FN2O3S — CID 139782261

IUPAC3-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one
SMILESCn1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H15FN2O3S/c1-19-11-16(12-3-9-15(10-4-12)24(2,22)23)20(17(19)21)14-7-5-13(18)6-8-14/h3-11H,1-2H3
InChIKeyJBORMXFLMPNUND-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.39
Rot. Bonds3

About 3-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one

3-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one (PubChem CID 139782261) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one
PubChem CID139782261
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name3-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one
SMILESCn1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H15FN2O3S/c1-19-11-16(12-3-9-15(10-4-12)24(2,22)23)20(17(19)21)14-7-5-13(18)6-8-14/h3-11H,1-2H3
InChIKeyJBORMXFLMPNUND-UHFFFAOYSA-N
XLogP2.39
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one
CID 139782244
3-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrrol-2-yl]propanoic acid
CID 10524261
5-(4-chlorophenyl)-3-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole
CID 54568096
3-(4-fluorophenyl)-5-(hydroxymethyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one
CID 139782249
1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-3-(2-propylsulfonylethyl)pyrrole
CID 155532119
1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-3-(2-propylsulfinylethyl)pyrrole
CID 155521151
5-fluoro-2-(4-methylsulfonylphenyl)-1-phenylindole
CID 57129889
2-methyl-1-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrrole
CID 10663833
2-[2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethoxy]ethyl nitrite
CID 123921078
5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile
CID 10735976
4-fluoro-2-[2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethyl]benzoic acid
CID 68803049
3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1,5-dihydro-1,2,4-triazole
CID 143044797

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one (CID 139782261) is 3-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one is Cn1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one?
The InChIKey is JBORMXFLMPNUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-19-11-16(12-3-9-15(10-4-12)24(2,22)23)20(17(19)21)14-7-5-13(18)6-8-14/h3-11H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one?
3-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one has a molecular weight of 346.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one is sourced from PubChem (CID 139782261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).