1-[(2R)-2-(2,5-difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one

C12H12F2N2O2S — CID 9062916

IUPAC1-[(2R)-2-(2,5-difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one
SMILESC[C@@H](Sc1cc(F)ccc1F)C(=O)N1CCNC1=O
InChIInChI=1S/C12H12F2N2O2S/c1-7(11(17)16-5-4-15-12(16)18)19-10-6-8(13)2-3-9(10)14/h2-3,6-7H,4-5H2,1H3,(H,15,18)/t7-/m1/s1
InChIKeyXQRSVWGOESZMOZ-SSDOTTSWSA-N
MW286.30 g/mol
LogP2.00
Rot. Bonds3

About 1-[(2R)-2-(2,5-difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one

1-[(2R)-2-(2,5-difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one (PubChem CID 9062916) has the molecular formula C12H12F2N2O2S and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-[(2R)-2-(2,5-difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-(2,5-difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one
PubChem CID9062916
Molecular FormulaC12H12F2N2O2S
Molecular Weight286.30 g/mol
Exact Mass286.06
IUPAC Name1-[(2R)-2-(2,5-difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one
SMILESC[C@@H](Sc1cc(F)ccc1F)C(=O)N1CCNC1=O
InChIInChI=1S/C12H12F2N2O2S/c1-7(11(17)16-5-4-15-12(16)18)19-10-6-8(13)2-3-9(10)14/h2-3,6-7H,4-5H2,1H3,(H,15,18)/t7-/m1/s1
InChIKeyXQRSVWGOESZMOZ-SSDOTTSWSA-N
XLogP2.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)sulfanylpropanoic acid
CID 16772336
1-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 46692867
1-[(2S)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propanoyl]imidazolidin-2-one
CID 8689076
1-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]imidazolidin-2-one
CID 8800662
1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one
CID 35041841
1-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 18140324
7-chloro-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one
CID 8726531
1-[2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetyl]imidazolidin-2-one
CID 56815809
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
CID 9369442
1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 47137409
1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 41023424
1-[(2S)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one
CID 8972493

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2,5-difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2R)-2-(2,5-difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one (CID 9062916) is 1-[(2R)-2-(2,5-difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-(2,5-difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2R)-2-(2,5-difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one is C[C@@H](Sc1cc(F)ccc1F)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[(2R)-2-(2,5-difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one?
The InChIKey is XQRSVWGOESZMOZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12F2N2O2S/c1-7(11(17)16-5-4-15-12(16)18)19-10-6-8(13)2-3-9(10)14/h2-3,6-7H,4-5H2,1H3,(H,15,18)/t7-/m1/s1.
What are the key properties of 1-[(2R)-2-(2,5-difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one?
1-[(2R)-2-(2,5-difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one has a molecular weight of 286.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2,5-difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one is sourced from PubChem (CID 9062916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).