2-(3-methoxyphenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one

C15H22N2O2S — CID 83257576

IUPAC2-(3-methoxyphenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
SMILESCOc1cccc(C2NC(C)C(=O)N2CCCSC)c1
InChIInChI=1S/C15H22N2O2S/c1-11-15(18)17(8-5-9-20-3)14(16-11)12-6-4-7-13(10-12)19-2/h4,6-7,10-11,14,16H,5,8-9H2,1-3H3
InChIKeyGKSWWAYHTQUOOG-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.27
Rot. Bonds6

About 2-(3-methoxyphenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one

2-(3-methoxyphenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one (PubChem CID 83257576) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
PubChem CID83257576
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-(3-methoxyphenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
SMILESCOc1cccc(C2NC(C)C(=O)N2CCCSC)c1
InChIInChI=1S/C15H22N2O2S/c1-11-15(18)17(8-5-9-20-3)14(16-11)12-6-4-7-13(10-12)19-2/h4,6-7,10-11,14,16H,5,8-9H2,1-3H3
InChIKeyGKSWWAYHTQUOOG-UHFFFAOYSA-N
XLogP2.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-methoxyphenyl)-5-methyl-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

3-(3-ethoxypropyl)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one
CID 83233721
2-(3-chlorophenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257662
2-(3-methoxyphenyl)-5-methyl-3-(2-methylpropyl)imidazolidin-4-one
CID 83242312
2-(3-methoxyphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
CID 83263494
2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257620
3-(3-methoxy-2-methylpropyl)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one
CID 83252793
5-ethyl-2-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83263533
2-(4-methoxyphenyl)-5-methyl-3-pentylimidazolidin-4-one
CID 83250631
3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83262813
3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83250449
2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83267017
5-methyl-3-pentyl-2-phenylimidazolidin-4-one
CID 83250974

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The IUPAC name of 2-(3-methoxyphenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one (CID 83257576) is 2-(3-methoxyphenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The canonical SMILES for 2-(3-methoxyphenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one is COc1cccc(C2NC(C)C(=O)N2CCCSC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The InChIKey is GKSWWAYHTQUOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-15(18)17(8-5-9-20-3)14(16-11)12-6-4-7-13(10-12)19-2/h4,6-7,10-11,14,16H,5,8-9H2,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
2-(3-methoxyphenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one has a molecular weight of 294.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83257576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).