1-methyl-3-(2-phenylsulfanylethyl)imidazolidin-2-one

C12H16N2OS — CID 79349024

IUPAC1-methyl-3-(2-phenylsulfanylethyl)imidazolidin-2-one
SMILESCN1CCN(CCSc2ccccc2)C1=O
InChIInChI=1S/C12H16N2OS/c1-13-7-8-14(12(13)15)9-10-16-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeySETIARMNCUPZET-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.15
Rot. Bonds4

About 1-methyl-3-(2-phenylsulfanylethyl)imidazolidin-2-one

1-methyl-3-(2-phenylsulfanylethyl)imidazolidin-2-one (PubChem CID 79349024) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-methyl-3-(2-phenylsulfanylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-phenylsulfanylethyl)imidazolidin-2-one
PubChem CID79349024
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-methyl-3-(2-phenylsulfanylethyl)imidazolidin-2-one
SMILESCN1CCN(CCSc2ccccc2)C1=O
InChIInChI=1S/C12H16N2OS/c1-13-7-8-14(12(13)15)9-10-16-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeySETIARMNCUPZET-UHFFFAOYSA-N
XLogP2.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-(2-phenylsulfanylethyl)imidazolidin-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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-phenylsulfanylethyl)imidazolidin-2-one?
The IUPAC name of 1-methyl-3-(2-phenylsulfanylethyl)imidazolidin-2-one (CID 79349024) is 1-methyl-3-(2-phenylsulfanylethyl)imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-(2-phenylsulfanylethyl)imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-(2-phenylsulfanylethyl)imidazolidin-2-one is CN1CCN(CCSc2ccccc2)C1=O.
What is the InChIKey of 1-methyl-3-(2-phenylsulfanylethyl)imidazolidin-2-one?
The InChIKey is SETIARMNCUPZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-13-7-8-14(12(13)15)9-10-16-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3.
What are the key properties of 1-methyl-3-(2-phenylsulfanylethyl)imidazolidin-2-one?
1-methyl-3-(2-phenylsulfanylethyl)imidazolidin-2-one has a molecular weight of 236.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-phenylsulfanylethyl)imidazolidin-2-one is sourced from PubChem (CID 79349024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).