2-(4-methylsulfanylphenyl)-3-(oxan-3-yl)imidazolidin-4-one

C15H20N2O2S — CID 83264649

IUPAC2-(4-methylsulfanylphenyl)-3-(oxan-3-yl)imidazolidin-4-one
SMILESCSc1ccc(C2NCC(=O)N2C2CCCOC2)cc1
InChIInChI=1S/C15H20N2O2S/c1-20-13-6-4-11(5-7-13)15-16-9-14(18)17(15)12-3-2-8-19-10-12/h4-7,12,15-16H,2-3,8-10H2,1H3
InChIKeyCETBACLGLSTGFO-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.02
Rot. Bonds3

About 2-(4-methylsulfanylphenyl)-3-(oxan-3-yl)imidazolidin-4-one

2-(4-methylsulfanylphenyl)-3-(oxan-3-yl)imidazolidin-4-one (PubChem CID 83264649) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-3-(oxan-3-yl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-3-(oxan-3-yl)imidazolidin-4-one
PubChem CID83264649
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-(4-methylsulfanylphenyl)-3-(oxan-3-yl)imidazolidin-4-one
SMILESCSc1ccc(C2NCC(=O)N2C2CCCOC2)cc1
InChIInChI=1S/C15H20N2O2S/c1-20-13-6-4-11(5-7-13)15-16-9-14(18)17(15)12-3-2-8-19-10-12/h4-7,12,15-16H,2-3,8-10H2,1H3
InChIKeyCETBACLGLSTGFO-UHFFFAOYSA-N
XLogP2.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83254980
2-(4-methoxyphenyl)-3-(oxolan-3-yl)imidazolidin-4-one
CID 83270364
2-(4-fluorophenyl)-3-(oxan-4-yl)imidazolidin-4-one
CID 83256425
2-(4-methoxy-3-methylphenyl)-3-(oxolan-3-yl)imidazolidin-4-one
CID 83270371
2-(4-fluorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one
CID 83244270
3-cycloheptyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83246732
3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83242702
3-cyclopentyl-2-(3,4-difluorophenyl)imidazolidin-4-one
CID 83241965
6-cyclobutyl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83250307
5-ethyl-2-(4-methylphenyl)-3-(oxan-3-yl)imidazolidin-4-one
CID 83263894
3-cyclopropyl-2-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83244929
2-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)imidazolidin-4-one
CID 83244495

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)-3-(oxan-3-yl)imidazolidin-4-one?
The IUPAC name of 2-(4-methylsulfanylphenyl)-3-(oxan-3-yl)imidazolidin-4-one (CID 83264649) is 2-(4-methylsulfanylphenyl)-3-(oxan-3-yl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-3-(oxan-3-yl)imidazolidin-4-one?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-3-(oxan-3-yl)imidazolidin-4-one is CSc1ccc(C2NCC(=O)N2C2CCCOC2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-3-(oxan-3-yl)imidazolidin-4-one?
The InChIKey is CETBACLGLSTGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-20-13-6-4-11(5-7-13)15-16-9-14(18)17(15)12-3-2-8-19-10-12/h4-7,12,15-16H,2-3,8-10H2,1H3.
What are the key properties of 2-(4-methylsulfanylphenyl)-3-(oxan-3-yl)imidazolidin-4-one?
2-(4-methylsulfanylphenyl)-3-(oxan-3-yl)imidazolidin-4-one has a molecular weight of 292.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-3-(oxan-3-yl)imidazolidin-4-one is sourced from PubChem (CID 83264649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).