2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one

C13H17FN2OS — CID 83257620

IUPAC2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
SMILESCSCCN1C(=O)C(C)NC1c1cccc(F)c1
InChIInChI=1S/C13H17FN2OS/c1-9-13(17)16(6-7-18-2)12(15-9)10-4-3-5-11(14)8-10/h3-5,8-9,12,15H,6-7H2,1-2H3
InChIKeyVAMNLKZVMHBFTI-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.01
Rot. Bonds4

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

2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one (PubChem CID 83257620) has the molecular formula C13H17FN2OS and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
PubChem CID83257620
Molecular FormulaC13H17FN2OS
Molecular Weight268.36 g/mol
Exact Mass268.10
IUPAC Name2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
SMILESCSCCN1C(=O)C(C)NC1c1cccc(F)c1
InChIInChI=1S/C13H17FN2OS/c1-9-13(17)16(6-7-18-2)12(15-9)10-4-3-5-11(14)8-10/h3-5,8-9,12,15H,6-7H2,1-2H3
InChIKeyVAMNLKZVMHBFTI-UHFFFAOYSA-N
XLogP2.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one?
The IUPAC name of 2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one (CID 83257620) is 2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one is CSCCN1C(=O)C(C)NC1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one?
The InChIKey is VAMNLKZVMHBFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2OS/c1-9-13(17)16(6-7-18-2)12(15-9)10-4-3-5-11(14)8-10/h3-5,8-9,12,15H,6-7H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one?
2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one has a molecular weight of 268.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one is sourced from PubChem (CID 83257620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).