1-(4-chlorophenyl)-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one

C15H10ClN3OS — CID 12774190

IUPAC1-(4-chlorophenyl)-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one
SMILES[H]/N=C1\C(=S)N(c2ccccc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClN3OS/c16-10-6-8-12(9-7-10)18-13(17)14(21)19(15(18)20)11-4-2-1-3-5-11/h1-9,17H/b17-13+
InChIKeyBUYRTONBQNLWGK-GHRIWEEISA-N
MW315.79 g/mol
LogP4.09
Rot. Bonds2

About 1-(4-chlorophenyl)-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one

1-(4-chlorophenyl)-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one (PubChem CID 12774190) has the molecular formula C15H10ClN3OS and a molecular weight of 315.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one
PubChem CID12774190
Molecular FormulaC15H10ClN3OS
Molecular Weight315.79 g/mol
Exact Mass315.02
IUPAC Name1-(4-chlorophenyl)-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one
SMILES[H]/N=C1\C(=S)N(c2ccccc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClN3OS/c16-10-6-8-12(9-7-10)18-13(17)14(21)19(15(18)20)11-4-2-1-3-5-11/h1-9,17H/b17-13+
InChIKeyBUYRTONBQNLWGK-GHRIWEEISA-N
XLogP4.09
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)sulfonyl-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one
CID 134088022
1-(3,4-difluorophenyl)-5-imino-3-phenylimidazolidine-2,4-dione
CID 134088027
1-(3,5-dichlorophenyl)-4-imino-5-sulfanylidene-3-(2,4,5-trichlorophenyl)imidazolidin-2-one
CID 134152144
methyl 2-[4-imino-3-(4-methylphenyl)-2-oxo-5-sulfanylideneimidazolidin-1-yl]benzoate
CID 11428152
(5E)-5-[(4-chlorophenyl)methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6342893
3-(4-chlorophenyl)-1-phenyl-1,3-diazinane-2,4-dione
CID 60835623
(5S)-3-(4-chlorophenyl)-5-methyl-1-phenylimidazolidine-2,4-dione
CID 154708544
5-imino-4,4-dimethyl-1-phenylimidazolidin-2-one
CID 35140530
1-(4-chlorophenyl)-3,4-diphenylpyrrolidine-2,5-dione
CID 71556473
5-benzhydrylidene-1,3-diphenyl-6-sulfanylidene-1,3-diazinane-2,4-dione
CID 56984033
1,3,3-triphenyl-4-sulfanylideneazetidin-2-one
CID 165357462
2-[1-(4-chlorophenyl)-5-imino-2-phenylimidazol-4-ylidene]propanedinitrile
CID 86278873

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one (CID 12774190) is 1-(4-chlorophenyl)-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one is [H]/N=C1\C(=S)N(c2ccccc2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one?
The InChIKey is BUYRTONBQNLWGK-GHRIWEEISA-N. The full InChI is InChI=1S/C15H10ClN3OS/c16-10-6-8-12(9-7-10)18-13(17)14(21)19(15(18)20)11-4-2-1-3-5-11/h1-9,17H/b17-13+.
What are the key properties of 1-(4-chlorophenyl)-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one?
1-(4-chlorophenyl)-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one has a molecular weight of 315.79 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one is sourced from PubChem (CID 12774190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).