1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one

C13H15ClN2O2S — CID 94217685

IUPAC1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one
SMILESC[C@H](SCC(=O)N1CCNC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O2S/c1-9(10-2-4-11(14)5-3-10)19-8-12(17)16-7-6-15-13(16)18/h2-5,9H,6-8H2,1H3,(H,15,18)/t9-/m0/s1
InChIKeyJQAGQCGKPQXKEA-VIFPVBQESA-N
MW298.80 g/mol
LogP2.69
Rot. Bonds4

About 1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one

1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one (PubChem CID 94217685) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is 1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one
PubChem CID94217685
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC Name1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one
SMILESC[C@H](SCC(=O)N1CCNC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O2S/c1-9(10-2-4-11(14)5-3-10)19-8-12(17)16-7-6-15-13(16)18/h2-5,9H,6-8H2,1H3,(H,15,18)/t9-/m0/s1
InChIKeyJQAGQCGKPQXKEA-VIFPVBQESA-N
XLogP2.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylbenzoic acid
CID 80556369
1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one
CID 39975330
1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one
CID 9307678
(4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8541172
1-[(2R)-2-[(4-chlorophenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8541173
1-butanoylimidazolidin-2-one
CID 12771230
1-[2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetyl]imidazolidin-2-one
CID 20930010
1-[2-(2-aminopropylsulfanyl)acetyl]imidazolidin-2-one
CID 66218972
1-[2-(4-aminophenyl)sulfanylacetyl]imidazolidin-2-one
CID 43299355
2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one
CID 9143622
1-[2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one
CID 78763612
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8727401

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one (CID 94217685) is 1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one is C[C@H](SCC(=O)N1CCNC1=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one?
The InChIKey is JQAGQCGKPQXKEA-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-9(10-2-4-11(14)5-3-10)19-8-12(17)16-7-6-15-13(16)18/h2-5,9H,6-8H2,1H3,(H,15,18)/t9-/m0/s1.
What are the key properties of 1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one?
1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one has a molecular weight of 298.80 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one is sourced from PubChem (CID 94217685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).