3-(3-methylsulfanylpropyl)-5-phenyl-2-propylimidazolidin-4-one

C16H24N2OS — CID 83257493

IUPAC3-(3-methylsulfanylpropyl)-5-phenyl-2-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccccc2)C(=O)N1CCCSC
InChIInChI=1S/C16H24N2OS/c1-3-8-14-17-15(13-9-5-4-6-10-13)16(19)18(14)11-7-12-20-2/h4-6,9-10,14-15,17H,3,7-8,11-12H2,1-2H3
InChIKeyUABIJJGTGMNERX-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.04
Rot. Bonds7

About 3-(3-methylsulfanylpropyl)-5-phenyl-2-propylimidazolidin-4-one

3-(3-methylsulfanylpropyl)-5-phenyl-2-propylimidazolidin-4-one (PubChem CID 83257493) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-(3-methylsulfanylpropyl)-5-phenyl-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3-methylsulfanylpropyl)-5-phenyl-2-propylimidazolidin-4-one
PubChem CID83257493
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-(3-methylsulfanylpropyl)-5-phenyl-2-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccccc2)C(=O)N1CCCSC
InChIInChI=1S/C16H24N2OS/c1-3-8-14-17-15(13-9-5-4-6-10-13)16(19)18(14)11-7-12-20-2/h4-6,9-10,14-15,17H,3,7-8,11-12H2,1-2H3
InChIKeyUABIJJGTGMNERX-UHFFFAOYSA-N
XLogP3.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxy-2-methylpropyl)-5-phenyl-2-propylimidazolidin-4-one
CID 104767743
2-(2-methylpropyl)-5-phenyl-3-propylimidazolidin-4-one
CID 83243033
3-(3-methylsulfanylpropyl)-5-phenylimidazolidin-4-one
CID 83256903
3-(2-methylcyclopropyl)-5-phenyl-2-propylimidazolidin-4-one
CID 83255152
3-(3-methylbutan-2-yl)-5-phenyl-2-propylimidazolidin-4-one
CID 83250844
3-cyclopentyl-5-phenyl-2-propylimidazolidin-4-one
CID 83242914
5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83258190
3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3687079
5-benzyl-3-(2-cyclopropylethyl)-2-propylimidazolidin-4-one
CID 83268843
5-ethyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83256953
3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one
CID 83257532
2-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5-phenylimidazolidin-4-one
CID 83245743

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfanylpropyl)-5-phenyl-2-propylimidazolidin-4-one?
The IUPAC name of 3-(3-methylsulfanylpropyl)-5-phenyl-2-propylimidazolidin-4-one (CID 83257493) is 3-(3-methylsulfanylpropyl)-5-phenyl-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-(3-methylsulfanylpropyl)-5-phenyl-2-propylimidazolidin-4-one?
The canonical SMILES for 3-(3-methylsulfanylpropyl)-5-phenyl-2-propylimidazolidin-4-one is CCCC1NC(c2ccccc2)C(=O)N1CCCSC.
What is the InChIKey of 3-(3-methylsulfanylpropyl)-5-phenyl-2-propylimidazolidin-4-one?
The InChIKey is UABIJJGTGMNERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-8-14-17-15(13-9-5-4-6-10-13)16(19)18(14)11-7-12-20-2/h4-6,9-10,14-15,17H,3,7-8,11-12H2,1-2H3.
What are the key properties of 3-(3-methylsulfanylpropyl)-5-phenyl-2-propylimidazolidin-4-one?
3-(3-methylsulfanylpropyl)-5-phenyl-2-propylimidazolidin-4-one has a molecular weight of 292.45 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfanylpropyl)-5-phenyl-2-propylimidazolidin-4-one is sourced from PubChem (CID 83257493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).