3-(2-methylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one

C13H15F3N2OS — CID 83257123

IUPAC3-(2-methylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCSCCN1C(=O)CNC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2OS/c1-20-7-6-18-11(19)8-17-12(18)9-2-4-10(5-3-9)13(14,15)16/h2-5,12,17H,6-8H2,1H3
InChIKeyVRFPYLSEDIEELJ-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.50
Rot. Bonds4

About 3-(2-methylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one

3-(2-methylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one (PubChem CID 83257123) has the molecular formula C13H15F3N2OS and a molecular weight of 304.34 g/mol. Its IUPAC name is 3-(2-methylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one.

Molecular Properties

Compound Name3-(2-methylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
PubChem CID83257123
Molecular FormulaC13H15F3N2OS
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name3-(2-methylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCSCCN1C(=O)CNC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2OS/c1-20-7-6-18-11(19)8-17-12(18)9-2-4-10(5-3-9)13(14,15)16/h2-5,12,17H,6-8H2,1H3
InChIKeyVRFPYLSEDIEELJ-UHFFFAOYSA-N
XLogP2.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
The IUPAC name of 3-(2-methylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one (CID 83257123) is 3-(2-methylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one.
What is the SMILES notation for 3-(2-methylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
The canonical SMILES for 3-(2-methylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one is CSCCN1C(=O)CNC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(2-methylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
The InChIKey is VRFPYLSEDIEELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2OS/c1-20-7-6-18-11(19)8-17-12(18)9-2-4-10(5-3-9)13(14,15)16/h2-5,12,17H,6-8H2,1H3.
What are the key properties of 3-(2-methylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
3-(2-methylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one has a molecular weight of 304.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one is sourced from PubChem (CID 83257123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).