2-(3-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one

C14H20N2OS — CID 83257415

IUPAC2-(3-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
SMILESCSCCCN1C(=O)CNC1c1cccc(C)c1
InChIInChI=1S/C14H20N2OS/c1-11-5-3-6-12(9-11)14-15-10-13(17)16(14)7-4-8-18-2/h3,5-6,9,14-15H,4,7-8,10H2,1-2H3
InChIKeyBHEXQCZEMWTQMV-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.18
Rot. Bonds5

About 2-(3-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one

2-(3-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one (PubChem CID 83257415) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(3-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
PubChem CID83257415
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-(3-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
SMILESCSCCCN1C(=O)CNC1c1cccc(C)c1
InChIInChI=1S/C14H20N2OS/c1-11-5-3-6-12(9-11)14-15-10-13(17)16(14)7-4-8-18-2/h3,5-6,9,14-15H,4,7-8,10H2,1-2H3
InChIKeyBHEXQCZEMWTQMV-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-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

2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257494
3-(2-cyclohexylethyl)-2-(3-methylphenyl)imidazolidin-4-one
CID 83246283
2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one
CID 83246906
3-(2-methylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83257123
3-hexyl-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83262651
3-(2-methylcyclohexyl)-2-(3-methylphenyl)imidazolidin-4-one
CID 83236888
3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83242271
2-(3-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83256699
2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259867
2-cyclopentyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257328
2-(3-chlorophenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257662
3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one
CID 83237103

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The IUPAC name of 2-(3-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one (CID 83257415) is 2-(3-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one.
What is the SMILES notation for 2-(3-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The canonical SMILES for 2-(3-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one is CSCCCN1C(=O)CNC1c1cccc(C)c1.
What is the InChIKey of 2-(3-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The InChIKey is BHEXQCZEMWTQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-11-5-3-6-12(9-11)14-15-10-13(17)16(14)7-4-8-18-2/h3,5-6,9,14-15H,4,7-8,10H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
2-(3-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one has a molecular weight of 264.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83257415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).