1-ethyl-4-(4-methylsulfonylphenyl)imidazolidin-2-one

C12H16N2O3S — CID 116981024

IUPAC1-ethyl-4-(4-methylsulfonylphenyl)imidazolidin-2-one
SMILESCCN1CC(c2ccc(S(C)(=O)=O)cc2)NC1=O
InChIInChI=1S/C12H16N2O3S/c1-3-14-8-11(13-12(14)15)9-4-6-10(7-5-9)18(2,16)17/h4-7,11H,3,8H2,1-2H3,(H,13,15)
InChIKeyWUGXWWJYXUWSCS-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.18
Rot. Bonds3

About 1-ethyl-4-(4-methylsulfonylphenyl)imidazolidin-2-one

1-ethyl-4-(4-methylsulfonylphenyl)imidazolidin-2-one (PubChem CID 116981024) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-ethyl-4-(4-methylsulfonylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-(4-methylsulfonylphenyl)imidazolidin-2-one
PubChem CID116981024
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name1-ethyl-4-(4-methylsulfonylphenyl)imidazolidin-2-one
SMILESCCN1CC(c2ccc(S(C)(=O)=O)cc2)NC1=O
InChIInChI=1S/C12H16N2O3S/c1-3-14-8-11(13-12(14)15)9-4-6-10(7-5-9)18(2,16)17/h4-7,11H,3,8H2,1-2H3,(H,13,15)
InChIKeyWUGXWWJYXUWSCS-UHFFFAOYSA-N
XLogP1.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-(4-ethylphenyl)imidazolidin-2-one
CID 116980946
(4R)-1-(4-methylsulfonylphenyl)-4-phenylimidazolidin-2-one
CID 163902103
1-ethyl-4-(6-methylnaphthalen-2-yl)imidazolidin-2-one
CID 116981065
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethylimidazolidin-2-one
CID 116980972
4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylimidazolidin-2-one
CID 116981042
1-ethyl-4-(2-methylphenyl)imidazolidin-2-one
CID 116981049
(4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184265
(2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride
CID 171195302
2-[4-(4-ethylsulfanylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980185
3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116979506
4-(4-ethoxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one
CID 116979433
3-ethyl-1-(4-methylsulfonylphenyl)piperidin-4-one
CID 121456160

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-methylsulfonylphenyl)imidazolidin-2-one?
The IUPAC name of 1-ethyl-4-(4-methylsulfonylphenyl)imidazolidin-2-one (CID 116981024) is 1-ethyl-4-(4-methylsulfonylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-ethyl-4-(4-methylsulfonylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-ethyl-4-(4-methylsulfonylphenyl)imidazolidin-2-one is CCN1CC(c2ccc(S(C)(=O)=O)cc2)NC1=O.
What is the InChIKey of 1-ethyl-4-(4-methylsulfonylphenyl)imidazolidin-2-one?
The InChIKey is WUGXWWJYXUWSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-3-14-8-11(13-12(14)15)9-4-6-10(7-5-9)18(2,16)17/h4-7,11H,3,8H2,1-2H3,(H,13,15).
What are the key properties of 1-ethyl-4-(4-methylsulfonylphenyl)imidazolidin-2-one?
1-ethyl-4-(4-methylsulfonylphenyl)imidazolidin-2-one has a molecular weight of 268.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-methylsulfonylphenyl)imidazolidin-2-one is sourced from PubChem (CID 116981024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).