2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one

C15H21FN2OS — CID 83257869

IUPAC2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccc(F)cc2)N(CCSC)C1=O
InChIInChI=1S/C15H21FN2OS/c1-3-4-13-15(19)18(9-10-20-2)14(17-13)11-5-7-12(16)8-6-11/h5-8,13-14,17H,3-4,9-10H2,1-2H3
InChIKeyIGVFSEMNJZPCIZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.79
Rot. Bonds6

About 2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one

2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one (PubChem CID 83257869) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
PubChem CID83257869
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC Name2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccc(F)cc2)N(CCSC)C1=O
InChIInChI=1S/C15H21FN2OS/c1-3-4-13-15(19)18(9-10-20-2)14(17-13)11-5-7-12(16)8-6-11/h5-8,13-14,17H,3-4,9-10H2,1-2H3
InChIKeyIGVFSEMNJZPCIZ-UHFFFAOYSA-N
XLogP2.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2-(4-fluorophenyl)-5-propylimidazolidin-4-one
CID 83239444
3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propylimidazolidin-4-one
CID 83233071
5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83258190
2-(3-methoxyphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
CID 83263494
5-ethyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83256953
2-(2,5-dimethylphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
CID 83263514
5-ethyl-2-(4-methylsulfanylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83264326
3-(2-cyclopropylethyl)-5-ethyl-2-(4-fluorophenyl)imidazolidin-4-one
CID 83258448
2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one
CID 115282121
3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one
CID 83263712
2-(4-chlorophenyl)-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83244948
3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242253

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one (CID 83257869) is 2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one is CCCC1NC(c2ccc(F)cc2)N(CCSC)C1=O.
What is the InChIKey of 2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one?
The InChIKey is IGVFSEMNJZPCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS/c1-3-4-13-15(19)18(9-10-20-2)14(17-13)11-5-7-12(16)8-6-11/h5-8,13-14,17H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one?
2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one has a molecular weight of 296.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one is sourced from PubChem (CID 83257869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).