3-(3-methylsulfanylpropyl)-5-phenylimidazolidin-4-one

C13H18N2OS — CID 83256903

IUPAC3-(3-methylsulfanylpropyl)-5-phenylimidazolidin-4-one
SMILESCSCCCN1CNC(c2ccccc2)C1=O
InChIInChI=1S/C13H18N2OS/c1-17-9-5-8-15-10-14-12(13(15)16)11-6-3-2-4-7-11/h2-4,6-7,12,14H,5,8-10H2,1H3
InChIKeyWXGJIQGQYLHFRL-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.87
Rot. Bonds5

About 3-(3-methylsulfanylpropyl)-5-phenylimidazolidin-4-one

3-(3-methylsulfanylpropyl)-5-phenylimidazolidin-4-one (PubChem CID 83256903) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 3-(3-methylsulfanylpropyl)-5-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3-methylsulfanylpropyl)-5-phenylimidazolidin-4-one
PubChem CID83256903
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name3-(3-methylsulfanylpropyl)-5-phenylimidazolidin-4-one
SMILESCSCCCN1CNC(c2ccccc2)C1=O
InChIInChI=1S/C13H18N2OS/c1-17-9-5-8-15-10-14-12(13(15)16)11-6-3-2-4-7-11/h2-4,6-7,12,14H,5,8-10H2,1H3
InChIKeyWXGJIQGQYLHFRL-UHFFFAOYSA-N
XLogP1.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.87
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfanylpropyl)-5-phenylimidazolidin-4-one?
The IUPAC name of 3-(3-methylsulfanylpropyl)-5-phenylimidazolidin-4-one (CID 83256903) is 3-(3-methylsulfanylpropyl)-5-phenylimidazolidin-4-one.
What is the SMILES notation for 3-(3-methylsulfanylpropyl)-5-phenylimidazolidin-4-one?
The canonical SMILES for 3-(3-methylsulfanylpropyl)-5-phenylimidazolidin-4-one is CSCCCN1CNC(c2ccccc2)C1=O.
What is the InChIKey of 3-(3-methylsulfanylpropyl)-5-phenylimidazolidin-4-one?
The InChIKey is WXGJIQGQYLHFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-17-9-5-8-15-10-14-12(13(15)16)11-6-3-2-4-7-11/h2-4,6-7,12,14H,5,8-10H2,1H3.
What are the key properties of 3-(3-methylsulfanylpropyl)-5-phenylimidazolidin-4-one?
3-(3-methylsulfanylpropyl)-5-phenylimidazolidin-4-one has a molecular weight of 250.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfanylpropyl)-5-phenylimidazolidin-4-one is sourced from PubChem (CID 83256903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).