1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one

C15H15ClN4O2S — CID 41023424

IUPAC1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
SMILESC[C@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)N1CCNC1=O
InChIInChI=1S/C15H15ClN4O2S/c1-10(13(21)20-8-5-17-14(20)22)23-15-18-6-7-19(15)12-4-2-3-11(16)9-12/h2-4,6-7,9-10H,5,8H2,1H3,(H,17,22)/t10-/m0/s1
InChIKeyLZUPSIANBKZVAR-JTQLQIEISA-N
MW350.83 g/mol
LogP2.56
Rot. Bonds4

About 1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one

1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one (PubChem CID 41023424) has the molecular formula C15H15ClN4O2S and a molecular weight of 350.83 g/mol. Its IUPAC name is 1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
PubChem CID41023424
Molecular FormulaC15H15ClN4O2S
Molecular Weight350.83 g/mol
Exact Mass350.06
IUPAC Name1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
SMILESC[C@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)N1CCNC1=O
InChIInChI=1S/C15H15ClN4O2S/c1-10(13(21)20-8-5-17-14(20)22)23-15-18-6-7-19(15)12-4-2-3-11(16)9-12/h2-4,6-7,9-10H,5,8H2,1H3,(H,17,22)/t10-/m0/s1
InChIKeyLZUPSIANBKZVAR-JTQLQIEISA-N
XLogP2.56
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 51236326
1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 8861400
1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 47137409
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide
CID 46811464
1-[(2S)-2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 40677752
7-chloro-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one
CID 8726531
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 43015285
(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide
CID 25390555
1-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 18091670
1-[2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 78819708
1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 42893462
1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one
CID 35041841

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one (CID 41023424) is 1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one is C[C@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one?
The InChIKey is LZUPSIANBKZVAR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15ClN4O2S/c1-10(13(21)20-8-5-17-14(20)22)23-15-18-6-7-19(15)12-4-2-3-11(16)9-12/h2-4,6-7,9-10H,5,8H2,1H3,(H,17,22)/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one?
1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one has a molecular weight of 350.83 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one is sourced from PubChem (CID 41023424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).