4-(4-methylsulfanylphenyl)-1-propan-2-ylimidazolidin-2-one

C13H18N2OS — CID 116981144

IUPAC4-(4-methylsulfanylphenyl)-1-propan-2-ylimidazolidin-2-one
SMILESCSc1ccc(C2CN(C(C)C)C(=O)N2)cc1
InChIInChI=1S/C13H18N2OS/c1-9(2)15-8-12(14-13(15)16)10-4-6-11(17-3)7-5-10/h4-7,9,12H,8H2,1-3H3,(H,14,16)
InChIKeyOMIKLQQSXUHKLG-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.88
Rot. Bonds3

About 4-(4-methylsulfanylphenyl)-1-propan-2-ylimidazolidin-2-one

4-(4-methylsulfanylphenyl)-1-propan-2-ylimidazolidin-2-one (PubChem CID 116981144) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 4-(4-methylsulfanylphenyl)-1-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-(4-methylsulfanylphenyl)-1-propan-2-ylimidazolidin-2-one
PubChem CID116981144
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name4-(4-methylsulfanylphenyl)-1-propan-2-ylimidazolidin-2-one
SMILESCSc1ccc(C2CN(C(C)C)C(=O)N2)cc1
InChIInChI=1S/C13H18N2OS/c1-9(2)15-8-12(14-13(15)16)10-4-6-11(17-3)7-5-10/h4-7,9,12H,8H2,1-3H3,(H,14,16)
InChIKeyOMIKLQQSXUHKLG-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-methylsulfanylphenyl)-1-propan-2-ylimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-hydroxyethyl)-4-phenylimidazolidin-2-one
CID 70630511
(2R)-2-(4-methylsulfanylphenyl)azetidine
CID 130863298
3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid
CID 116979660
1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one
CID 116978671
(4R)-4-cyclopropyl-1-propan-2-ylimidazolidin-2-one
CID 176750415
2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-indole
CID 4553676
(4S,5S)-4-methyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 59786579
4-(4-butan-2-ylphenyl)-1-methylimidazolidin-2-one
CID 116980818
6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione
CID 59370437
4-(1-phenylethyl)-1-propan-2-ylimidazolidin-2-one
CID 176750424
2-[4-(4-ethylsulfanylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980185
1-(4-methylsulfanylphenyl)sulfanyl-4-propan-2-ylpiperidine
CID 166753959

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanylphenyl)-1-propan-2-ylimidazolidin-2-one?
The IUPAC name of 4-(4-methylsulfanylphenyl)-1-propan-2-ylimidazolidin-2-one (CID 116981144) is 4-(4-methylsulfanylphenyl)-1-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 4-(4-methylsulfanylphenyl)-1-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 4-(4-methylsulfanylphenyl)-1-propan-2-ylimidazolidin-2-one is CSc1ccc(C2CN(C(C)C)C(=O)N2)cc1.
What is the InChIKey of 4-(4-methylsulfanylphenyl)-1-propan-2-ylimidazolidin-2-one?
The InChIKey is OMIKLQQSXUHKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9(2)15-8-12(14-13(15)16)10-4-6-11(17-3)7-5-10/h4-7,9,12H,8H2,1-3H3,(H,14,16).
What are the key properties of 4-(4-methylsulfanylphenyl)-1-propan-2-ylimidazolidin-2-one?
4-(4-methylsulfanylphenyl)-1-propan-2-ylimidazolidin-2-one has a molecular weight of 250.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylphenyl)-1-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 116981144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).