2-(3-fluoro-4-methoxyphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one

C13H17FN2O4S — CID 83246302

IUPAC2-(3-fluoro-4-methoxyphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
SMILESCOc1ccc(C2NCC(=O)N2CCS(C)(=O)=O)cc1F
InChIInChI=1S/C13H17FN2O4S/c1-20-11-4-3-9(7-10(11)14)13-15-8-12(17)16(13)5-6-21(2,18)19/h3-4,7,13,15H,5-6,8H2,1-2H3
InChIKeyNUYNLABTQSNQFI-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.31
Rot. Bonds5

About 2-(3-fluoro-4-methoxyphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one

2-(3-fluoro-4-methoxyphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one (PubChem CID 83246302) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
PubChem CID83246302
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
SMILESCOc1ccc(C2NCC(=O)N2CCS(C)(=O)=O)cc1F
InChIInChI=1S/C13H17FN2O4S/c1-20-11-4-3-9(7-10(11)14)13-15-8-12(17)16(13)5-6-21(2,18)19/h3-4,7,13,15H,5-6,8H2,1-2H3
InChIKeyNUYNLABTQSNQFI-UHFFFAOYSA-N
XLogP0.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 114983330
2-(3-fluoro-4-methoxyphenyl)-3-(2-methoxy-2-methylpropyl)imidazolidin-4-one
CID 114983389
2-(3-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83256699
2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242836
2-(4-ethylphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83256040
2-(3,4-difluorophenyl)-3-(3-methoxy-2-methylpropyl)imidazolidin-4-one
CID 83248778
3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83247903
5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83243214
5-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247259
2-(4-methoxy-3-methylphenyl)-3-(2-methylbutyl)imidazolidin-4-one
CID 83253955
2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83255096
6-butyl-5-(3-fluoro-4-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237728

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one (CID 83246302) is 2-(3-fluoro-4-methoxyphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one is COc1ccc(C2NCC(=O)N2CCS(C)(=O)=O)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one?
The InChIKey is NUYNLABTQSNQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c1-20-11-4-3-9(7-10(11)14)13-15-8-12(17)16(13)5-6-21(2,18)19/h3-4,7,13,15H,5-6,8H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one?
2-(3-fluoro-4-methoxyphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one has a molecular weight of 316.35 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one is sourced from PubChem (CID 83246302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).