3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one

C16H14N2O2S — CID 682116

IUPAC3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(N2C(=O)CN(c3ccccc3)C2=S)cc1
InChIInChI=1S/C16H14N2O2S/c1-20-14-9-7-13(8-10-14)18-15(19)11-17(16(18)21)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyVXYZMILQGCRTDC-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.83
Rot. Bonds3

About 3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one

3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 682116) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID682116
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(N2C(=O)CN(c3ccccc3)C2=S)cc1
InChIInChI=1S/C16H14N2O2S/c1-20-14-9-7-13(8-10-14)18-15(19)11-17(16(18)21)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyVXYZMILQGCRTDC-UHFFFAOYSA-N
XLogP2.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 892975
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 134092663
3-(2-bromophenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
CID 98000861
1-(4-ethoxyphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylideneimidazolidin-4-one
CID 3744324
1-(4-methoxyphenyl)pyrrolidine-2,4-dione
CID 79515540
(3aR,4R,7R,7aR)-2-(4-methoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 129428100
1-(4-methoxyphenyl)-3,4-dihydroquinoxalin-2-one
CID 117006508
3-(4-ethoxyphenyl)-1-phenyl-4-sulfanylideneimidazolidin-2-one
CID 11392810
(3aR,4R,7R,7aR)-2-(4-methoxyphenyl)-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124775903
5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 50855289
2-[(Z)-[3-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]iminomethyl]benzoate
CID 7802760

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one (CID 682116) is 3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one is COc1ccc(N2C(=O)CN(c3ccccc3)C2=S)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is VXYZMILQGCRTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-20-14-9-7-13(8-10-14)18-15(19)11-17(16(18)21)12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one?
3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 298.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 682116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).