5-butan-2-yl-2-(3-fluorophenyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one

C16H23FN2OS — CID 83263347

IUPAC5-butan-2-yl-2-(3-fluorophenyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one
SMILESCCC(C)C1NC(c2cccc(F)c2)N(CCSC)C1=O
InChIInChI=1S/C16H23FN2OS/c1-4-11(2)14-16(20)19(8-9-21-3)15(18-14)12-6-5-7-13(17)10-12/h5-7,10-11,14-15,18H,4,8-9H2,1-3H3
InChIKeyZYYDWCKKFKSAGA-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.03
Rot. Bonds6

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

5-butan-2-yl-2-(3-fluorophenyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one (PubChem CID 83263347) has the molecular formula C16H23FN2OS and a molecular weight of 310.44 g/mol. Its IUPAC name is 5-butan-2-yl-2-(3-fluorophenyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-(3-fluorophenyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one
PubChem CID83263347
Molecular FormulaC16H23FN2OS
Molecular Weight310.44 g/mol
Exact Mass310.15
IUPAC Name5-butan-2-yl-2-(3-fluorophenyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one
SMILESCCC(C)C1NC(c2cccc(F)c2)N(CCSC)C1=O
InChIInChI=1S/C16H23FN2OS/c1-4-11(2)14-16(20)19(8-9-21-3)15(18-14)12-6-5-7-13(17)10-12/h5-7,10-11,14-15,18H,4,8-9H2,1-3H3
InChIKeyZYYDWCKKFKSAGA-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257620
2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one
CID 83242425
2-(3-fluorophenyl)-3-(2-methoxyethyl)-5-propan-2-ylimidazolidin-4-one
CID 83242956
5-butan-2-yl-3-(2-methoxyethyl)-2-(3-methylphenyl)imidazolidin-4-one
CID 83247255
2-(3-fluorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one
CID 83245919
5-butan-2-yl-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83267734
5-butan-2-yl-2-(4-chlorophenyl)-3-propylimidazolidin-4-one
CID 83242766
5-butan-2-yl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one
CID 83262375
5-butan-2-yl-3-ethyl-2-(3-fluoro-4-methoxyphenyl)imidazolidin-4-one
CID 83239869
5-ethyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83256953
2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
CID 83257869
2-(3-methoxyphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
CID 83263494

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-(3-fluorophenyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-(3-fluorophenyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one (CID 83263347) is 5-butan-2-yl-2-(3-fluorophenyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-(3-fluorophenyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-(3-fluorophenyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one is CCC(C)C1NC(c2cccc(F)c2)N(CCSC)C1=O.
What is the InChIKey of 5-butan-2-yl-2-(3-fluorophenyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one?
The InChIKey is ZYYDWCKKFKSAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2OS/c1-4-11(2)14-16(20)19(8-9-21-3)15(18-14)12-6-5-7-13(17)10-12/h5-7,10-11,14-15,18H,4,8-9H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-(3-fluorophenyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one?
5-butan-2-yl-2-(3-fluorophenyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one has a molecular weight of 310.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-(3-fluorophenyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one is sourced from PubChem (CID 83263347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).