1-[(2R)-2-(3-chloro-4-fluorophenyl)sulfanylpropanoyl]imidazolidin-2-one

C12H12ClFN2O2S — CID 8680791

IUPAC1-[(2R)-2-(3-chloro-4-fluorophenyl)sulfanylpropanoyl]imidazolidin-2-one
SMILESC[C@@H](Sc1ccc(F)c(Cl)c1)C(=O)N1CCNC1=O
InChIInChI=1S/C12H12ClFN2O2S/c1-7(11(17)16-5-4-15-12(16)18)19-8-2-3-10(14)9(13)6-8/h2-3,6-7H,4-5H2,1H3,(H,15,18)/t7-/m1/s1
InChIKeyITHYEQJQWINUBT-SSDOTTSWSA-N
MW302.76 g/mol
LogP2.51
Rot. Bonds3

About 1-[(2R)-2-(3-chloro-4-fluorophenyl)sulfanylpropanoyl]imidazolidin-2-one

1-[(2R)-2-(3-chloro-4-fluorophenyl)sulfanylpropanoyl]imidazolidin-2-one (PubChem CID 8680791) has the molecular formula C12H12ClFN2O2S and a molecular weight of 302.76 g/mol. Its IUPAC name is 1-[(2R)-2-(3-chloro-4-fluorophenyl)sulfanylpropanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-(3-chloro-4-fluorophenyl)sulfanylpropanoyl]imidazolidin-2-one
PubChem CID8680791
Molecular FormulaC12H12ClFN2O2S
Molecular Weight302.76 g/mol
Exact Mass302.03
IUPAC Name1-[(2R)-2-(3-chloro-4-fluorophenyl)sulfanylpropanoyl]imidazolidin-2-one
SMILESC[C@@H](Sc1ccc(F)c(Cl)c1)C(=O)N1CCNC1=O
InChIInChI=1S/C12H12ClFN2O2S/c1-7(11(17)16-5-4-15-12(16)18)19-8-2-3-10(14)9(13)6-8/h2-3,6-7H,4-5H2,1H3,(H,15,18)/t7-/m1/s1
InChIKeyITHYEQJQWINUBT-SSDOTTSWSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-chloro-4-fluorophenyl)sulfanylpropanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2R)-2-(3-chloro-4-fluorophenyl)sulfanylpropanoyl]imidazolidin-2-one (CID 8680791) is 1-[(2R)-2-(3-chloro-4-fluorophenyl)sulfanylpropanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-(3-chloro-4-fluorophenyl)sulfanylpropanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2R)-2-(3-chloro-4-fluorophenyl)sulfanylpropanoyl]imidazolidin-2-one is C[C@@H](Sc1ccc(F)c(Cl)c1)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[(2R)-2-(3-chloro-4-fluorophenyl)sulfanylpropanoyl]imidazolidin-2-one?
The InChIKey is ITHYEQJQWINUBT-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12ClFN2O2S/c1-7(11(17)16-5-4-15-12(16)18)19-8-2-3-10(14)9(13)6-8/h2-3,6-7H,4-5H2,1H3,(H,15,18)/t7-/m1/s1.
What are the key properties of 1-[(2R)-2-(3-chloro-4-fluorophenyl)sulfanylpropanoyl]imidazolidin-2-one?
1-[(2R)-2-(3-chloro-4-fluorophenyl)sulfanylpropanoyl]imidazolidin-2-one has a molecular weight of 302.76 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-chloro-4-fluorophenyl)sulfanylpropanoyl]imidazolidin-2-one is sourced from PubChem (CID 8680791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).