2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one

C14H20N2OS — CID 83257494

IUPAC2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
SMILESCSCCCN1C(=O)CNC1c1ccc(C)cc1
InChIInChI=1S/C14H20N2OS/c1-11-4-6-12(7-5-11)14-15-10-13(17)16(14)8-3-9-18-2/h4-7,14-15H,3,8-10H2,1-2H3
InChIKeyKCAWQQIZVVAHIQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.18
Rot. Bonds5

About 2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one

2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one (PubChem CID 83257494) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
PubChem CID83257494
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
SMILESCSCCCN1C(=O)CNC1c1ccc(C)cc1
InChIInChI=1S/C14H20N2OS/c1-11-4-6-12(7-5-11)14-15-10-13(17)16(14)8-3-9-18-2/h4-7,14-15H,3,8-10H2,1-2H3
InChIKeyKCAWQQIZVVAHIQ-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.18
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 2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The IUPAC name of 2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one (CID 83257494) is 2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one is CSCCCN1C(=O)CNC1c1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The InChIKey is KCAWQQIZVVAHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-11-4-6-12(7-5-11)14-15-10-13(17)16(14)8-3-9-18-2/h4-7,14-15H,3,8-10H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one has a molecular weight of 264.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83257494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).