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

C14H19ClN2OS — CID 83257632

IUPAC2-(4-chlorophenyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one
SMILESCSCC(C)CN1C(=O)CNC1c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2OS/c1-10(9-19-2)8-17-13(18)7-16-14(17)11-3-5-12(15)6-4-11/h3-6,10,14,16H,7-9H2,1-2H3
InChIKeyLWEUSOUQROVSNY-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.77
Rot. Bonds5

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

2-(4-chlorophenyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one (PubChem CID 83257632) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one
PubChem CID83257632
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name2-(4-chlorophenyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one
SMILESCSCC(C)CN1C(=O)CNC1c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2OS/c1-10(9-19-2)8-17-13(18)7-16-14(17)11-3-5-12(15)6-4-11/h3-6,10,14,16H,7-9H2,1-2H3
InChIKeyLWEUSOUQROVSNY-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-3-(2,2-dimethylpropyl)imidazolidin-4-one
CID 83256713
2-(3-chlorophenyl)-3-(3-methoxy-2-methylpropyl)imidazolidin-4-one
CID 83248863
2-(3,4-difluorophenyl)-3-(3-methoxy-2-methylpropyl)imidazolidin-4-one
CID 83248778
2-(4-chlorophenyl)-3-[3-(dimethylamino)-2,2-dimethylpropyl]imidazolidin-4-one
CID 83237127
2-ethyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one
CID 83258052
2-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazolidin-4-one
CID 83243667
2-(4-chlorophenyl)-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one
CID 83249338
2-(4-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242920
2-(4-chlorophenyl)-3-(1-cyclopropylethyl)imidazolidin-4-one
CID 83244273
2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83260212
(2S)-2-(4-chlorophenyl)-3-hydroxyimidazolidin-4-one
CID 92534449
2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257494

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one (CID 83257632) is 2-(4-chlorophenyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one is CSCC(C)CN1C(=O)CNC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one?
The InChIKey is LWEUSOUQROVSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-10(9-19-2)8-17-13(18)7-16-14(17)11-3-5-12(15)6-4-11/h3-6,10,14,16H,7-9H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one?
2-(4-chlorophenyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one has a molecular weight of 298.84 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83257632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).