2-(3-chlorophenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one

C14H19ClN2OS — CID 83257662

IUPAC2-(3-chlorophenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
SMILESCSCCCN1C(=O)C(C)NC1c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2OS/c1-10-14(18)17(7-4-8-19-2)13(16-10)11-5-3-6-12(15)9-11/h3,5-6,9-10,13,16H,4,7-8H2,1-2H3
InChIKeyUYLYWKHCAIVZPK-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.91
Rot. Bonds5

About 2-(3-chlorophenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one

2-(3-chlorophenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one (PubChem CID 83257662) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
PubChem CID83257662
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name2-(3-chlorophenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
SMILESCSCCCN1C(=O)C(C)NC1c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2OS/c1-10-14(18)17(7-4-8-19-2)13(16-10)11-5-3-6-12(15)9-11/h3,5-6,9-10,13,16H,4,7-8H2,1-2H3
InChIKeyUYLYWKHCAIVZPK-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.91
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

2-(3-methoxyphenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257576
2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257620
2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one
CID 83248029
2-(3-chlorophenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one
CID 114983383
3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83262813
3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83250449
2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83267017
5-methyl-3-pentyl-2-phenylimidazolidin-4-one
CID 83250974
3-(3-ethoxypropyl)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one
CID 83233721
3-[2-(dimethylamino)ethyl]-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83250661
2-(3-chlorophenyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazolidin-4-one
CID 114983557
5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one
CID 115282118

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one (CID 83257662) is 2-(3-chlorophenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one is CSCCCN1C(=O)C(C)NC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The InChIKey is UYLYWKHCAIVZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-10-14(18)17(7-4-8-19-2)13(16-10)11-5-3-6-12(15)9-11/h3,5-6,9-10,13,16H,4,7-8H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
2-(3-chlorophenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one has a molecular weight of 298.84 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83257662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).