5-benzyl-3-phenyl-2-sulfanylideneimidazolidin-4-one

C16H14N2OS — CID 2871911

IUPAC5-benzyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(Cc2ccccc2)NC(=S)N1c1ccccc1
InChIInChI=1S/C16H14N2OS/c19-15-14(11-12-7-3-1-4-8-12)17-16(20)18(15)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,20)
InChIKeyHIDCDSHFIITFOM-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.52
Rot. Bonds3

About 5-benzyl-3-phenyl-2-sulfanylideneimidazolidin-4-one

5-benzyl-3-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 2871911) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-benzyl-3-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID2871911
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name5-benzyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(Cc2ccccc2)NC(=S)N1c1ccccc1
InChIInChI=1S/C16H14N2OS/c19-15-14(11-12-7-3-1-4-8-12)17-16(20)18(15)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,20)
InChIKeyHIDCDSHFIITFOM-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
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-benzyl-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-benzyl-3-phenyl-2-sulfanylideneimidazolidin-4-one (CID 2871911) is 5-benzyl-3-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-benzyl-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-benzyl-3-phenyl-2-sulfanylideneimidazolidin-4-one is O=C1C(Cc2ccccc2)NC(=S)N1c1ccccc1.
What is the InChIKey of 5-benzyl-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is HIDCDSHFIITFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c19-15-14(11-12-7-3-1-4-8-12)17-16(20)18(15)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,20).
What are the key properties of 5-benzyl-3-phenyl-2-sulfanylideneimidazolidin-4-one?
5-benzyl-3-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 282.37 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 2871911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).