5-(2-methylpropyl)-2-(4-methylsulfanylphenyl)-3-propylimidazolidin-4-one

C17H26N2OS — CID 83246427

IUPAC5-(2-methylpropyl)-2-(4-methylsulfanylphenyl)-3-propylimidazolidin-4-one
SMILESCCCN1C(=O)C(CC(C)C)NC1c1ccc(SC)cc1
InChIInChI=1S/C17H26N2OS/c1-5-10-19-16(13-6-8-14(21-4)9-7-13)18-15(17(19)20)11-12(2)3/h6-9,12,15-16,18H,5,10-11H2,1-4H3
InChIKeyCSJJPRVVZICCDW-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.66
Rot. Bonds6

About 5-(2-methylpropyl)-2-(4-methylsulfanylphenyl)-3-propylimidazolidin-4-one

5-(2-methylpropyl)-2-(4-methylsulfanylphenyl)-3-propylimidazolidin-4-one (PubChem CID 83246427) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-(4-methylsulfanylphenyl)-3-propylimidazolidin-4-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-(4-methylsulfanylphenyl)-3-propylimidazolidin-4-one
PubChem CID83246427
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name5-(2-methylpropyl)-2-(4-methylsulfanylphenyl)-3-propylimidazolidin-4-one
SMILESCCCN1C(=O)C(CC(C)C)NC1c1ccc(SC)cc1
InChIInChI=1S/C17H26N2OS/c1-5-10-19-16(13-6-8-14(21-4)9-7-13)18-15(17(19)20)11-12(2)3/h6-9,12,15-16,18H,5,10-11H2,1-4H3
InChIKeyCSJJPRVVZICCDW-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-(4-methylsulfanylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83264326
3-ethyl-2-(4-methoxyphenyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83239781
2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one
CID 83246425
3-ethyl-2-(4-methylsulfanylphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83239609
3-butan-2-yl-5-ethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83238950
5-ethyl-2-(4-methoxyphenyl)-3-propylimidazolidin-4-one
CID 83242345
2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
CID 83257869
2-(3,4-difluorophenyl)-5-ethyl-3-propylimidazolidin-4-one
CID 83241892
2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one
CID 115282121
5-methyl-2-(4-propan-2-ylphenyl)-3-propylimidazolidin-4-one
CID 115282125
5-(2-methylpropyl)-2-phenyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83244729
3-ethyl-2-(3-fluoro-4-methoxyphenyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83239274

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-(4-methylsulfanylphenyl)-3-propylimidazolidin-4-one?
The IUPAC name of 5-(2-methylpropyl)-2-(4-methylsulfanylphenyl)-3-propylimidazolidin-4-one (CID 83246427) is 5-(2-methylpropyl)-2-(4-methylsulfanylphenyl)-3-propylimidazolidin-4-one.
What is the SMILES notation for 5-(2-methylpropyl)-2-(4-methylsulfanylphenyl)-3-propylimidazolidin-4-one?
The canonical SMILES for 5-(2-methylpropyl)-2-(4-methylsulfanylphenyl)-3-propylimidazolidin-4-one is CCCN1C(=O)C(CC(C)C)NC1c1ccc(SC)cc1.
What is the InChIKey of 5-(2-methylpropyl)-2-(4-methylsulfanylphenyl)-3-propylimidazolidin-4-one?
The InChIKey is CSJJPRVVZICCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-5-10-19-16(13-6-8-14(21-4)9-7-13)18-15(17(19)20)11-12(2)3/h6-9,12,15-16,18H,5,10-11H2,1-4H3.
What are the key properties of 5-(2-methylpropyl)-2-(4-methylsulfanylphenyl)-3-propylimidazolidin-4-one?
5-(2-methylpropyl)-2-(4-methylsulfanylphenyl)-3-propylimidazolidin-4-one has a molecular weight of 306.48 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-(4-methylsulfanylphenyl)-3-propylimidazolidin-4-one is sourced from PubChem (CID 83246427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).