5-phenacyl-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one

C23H18N2O2S — CID 3104170

IUPAC5-phenacyl-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C(CC1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18N2O2S/c26-21(17-10-4-1-5-11-17)16-20-22(27)25(19-14-8-3-9-15-19)23(28)24(20)18-12-6-2-7-13-18/h1-15,20H,16H2
InChIKeyWWHKPAKQDBMWDQ-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.47
Rot. Bonds5

About 5-phenacyl-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one

5-phenacyl-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 3104170) has the molecular formula C23H18N2O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 5-phenacyl-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-phenacyl-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID3104170
Molecular FormulaC23H18N2O2S
Molecular Weight386.48 g/mol
Exact Mass386.11
IUPAC Name5-phenacyl-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C(CC1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18N2O2S/c26-21(17-10-4-1-5-11-17)16-20-22(27)25(19-14-8-3-9-15-19)23(28)24(20)18-12-6-2-7-13-18/h1-15,20H,16H2
InChIKeyWWHKPAKQDBMWDQ-UHFFFAOYSA-N
XLogP4.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenacyl-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-phenacyl-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one (CID 3104170) is 5-phenacyl-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-phenacyl-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-phenacyl-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one is O=C(CC1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1)c1ccccc1.
What is the InChIKey of 5-phenacyl-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is WWHKPAKQDBMWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2S/c26-21(17-10-4-1-5-11-17)16-20-22(27)25(19-14-8-3-9-15-19)23(28)24(20)18-12-6-2-7-13-18/h1-15,20H,16H2.
What are the key properties of 5-phenacyl-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
5-phenacyl-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 386.48 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenacyl-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3104170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).