2-(4-chlorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one

C15H21ClN2OS — CID 83256949

IUPAC2-(4-chlorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
SMILESCCC1(C)NC(c2ccc(Cl)cc2)N(CCSC)C1=O
InChIInChI=1S/C15H21ClN2OS/c1-4-15(2)14(19)18(9-10-20-3)13(17-15)11-5-7-12(16)8-6-11/h5-8,13,17H,4,9-10H2,1-3H3
InChIKeyWVODDLIRLCKKFX-UHFFFAOYSA-N
MW312.87 g/mol
LogP3.30
Rot. Bonds5

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

2-(4-chlorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one (PubChem CID 83256949) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
PubChem CID83256949
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Name2-(4-chlorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
SMILESCCC1(C)NC(c2ccc(Cl)cc2)N(CCSC)C1=O
InChIInChI=1S/C15H21ClN2OS/c1-4-15(2)14(19)18(9-10-20-3)13(17-15)11-5-7-12(16)8-6-11/h5-8,13,17H,4,9-10H2,1-3H3
InChIKeyWVODDLIRLCKKFX-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83232560
2-(4-chlorophenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one
CID 83260669
2-(2,4-difluorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83263534
5-ethyl-2-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83263533
3,5-diethyl-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83238688
5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83258114
5-ethyl-3,5-dimethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83261202
3,5-diethyl-5-methyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83238790
3-(3-ethoxypropyl)-5-ethyl-5-methyl-2-phenylimidazolidin-4-one
CID 83233708
3-ethyl-3-methyl-1-(2-methylsulfanylethyl)-6-propylpiperazine-2,5-dione
CID 113474647
5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83253608
2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
CID 83257869

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one (CID 83256949) is 2-(4-chlorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one is CCC1(C)NC(c2ccc(Cl)cc2)N(CCSC)C1=O.
What is the InChIKey of 2-(4-chlorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one?
The InChIKey is WVODDLIRLCKKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c1-4-15(2)14(19)18(9-10-20-3)13(17-15)11-5-7-12(16)8-6-11/h5-8,13,17H,4,9-10H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one?
2-(4-chlorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one has a molecular weight of 312.87 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one is sourced from PubChem (CID 83256949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).