5,5-diphenyl-2-sulfanylideneimidazolidin-4-one

C15H12N2OS — CID 854150

IUPAC5,5-diphenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12N2OS/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
InChIKeyAMDPNECWKZZEBQ-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.93
Rot. Bonds2

About 5,5-diphenyl-2-sulfanylideneimidazolidin-4-one

5,5-diphenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 854150) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 5,5-diphenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5,5-diphenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID854150
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name5,5-diphenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12N2OS/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
InChIKeyAMDPNECWKZZEBQ-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5,5-diphenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5,5-diphenyl-2-sulfanylideneimidazolidin-4-one (CID 854150) is 5,5-diphenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5,5-diphenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5,5-diphenyl-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)NC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 5,5-diphenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is AMDPNECWKZZEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19).
What are the key properties of 5,5-diphenyl-2-sulfanylideneimidazolidin-4-one?
5,5-diphenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 268.34 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 854150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).