2-(3-methoxyphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one

C16H24N2O2S — CID 83263494

IUPAC2-(3-methoxyphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2cccc(OC)c2)N(CCSC)C1=O
InChIInChI=1S/C16H24N2O2S/c1-4-6-14-16(19)18(9-10-21-3)15(17-14)12-7-5-8-13(11-12)20-2/h5,7-8,11,14-15,17H,4,6,9-10H2,1-3H3
InChIKeyKXNCPGFNQJUWLM-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.66
Rot. Bonds7

About 2-(3-methoxyphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one

2-(3-methoxyphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one (PubChem CID 83263494) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
PubChem CID83263494
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(3-methoxyphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2cccc(OC)c2)N(CCSC)C1=O
InChIInChI=1S/C16H24N2O2S/c1-4-6-14-16(19)18(9-10-21-3)15(17-14)12-7-5-8-13(11-12)20-2/h5,7-8,11,14-15,17H,4,6,9-10H2,1-3H3
InChIKeyKXNCPGFNQJUWLM-UHFFFAOYSA-N
XLogP2.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
CID 83257869
2-(3-methoxyphenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257576
5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83258190
5-butyl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one
CID 83259614
5-ethyl-2-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83263533
5-ethyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83256953
2-(2,5-dimethylphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
CID 83263514
3-(3-ethoxypropyl)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one
CID 83233721
3-(2-cyclopropylethyl)-2-(3-methylphenyl)-5-propylimidazolidin-4-one
CID 83268438
2-(3-chlorophenyl)-3-ethyl-5-propylimidazolidin-4-one
CID 83240043
2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257620
3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one
CID 83263712

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one?
The IUPAC name of 2-(3-methoxyphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one (CID 83263494) is 2-(3-methoxyphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one?
The canonical SMILES for 2-(3-methoxyphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one is CCCC1NC(c2cccc(OC)c2)N(CCSC)C1=O.
What is the InChIKey of 2-(3-methoxyphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one?
The InChIKey is KXNCPGFNQJUWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-6-14-16(19)18(9-10-21-3)15(17-14)12-7-5-8-13(11-12)20-2/h5,7-8,11,14-15,17H,4,6,9-10H2,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one?
2-(3-methoxyphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one has a molecular weight of 308.45 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one is sourced from PubChem (CID 83263494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).