3-phenyl-5-(phenylmethoxymethyl)-2-sulfanylideneimidazolidin-4-one

C17H16N2O2S — CID 15295750

IUPAC3-phenyl-5-(phenylmethoxymethyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(COCc2ccccc2)NC(=S)N1c1ccccc1
InChIInChI=1S/C17H16N2O2S/c20-16-15(12-21-11-13-7-3-1-4-8-13)18-17(22)19(16)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,22)
InChIKeySCJLOJDIFNWJKI-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.49
Rot. Bonds5

About 3-phenyl-5-(phenylmethoxymethyl)-2-sulfanylideneimidazolidin-4-one

3-phenyl-5-(phenylmethoxymethyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 15295750) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-phenyl-5-(phenylmethoxymethyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-phenyl-5-(phenylmethoxymethyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID15295750
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name3-phenyl-5-(phenylmethoxymethyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(COCc2ccccc2)NC(=S)N1c1ccccc1
InChIInChI=1S/C17H16N2O2S/c20-16-15(12-21-11-13-7-3-1-4-8-13)18-17(22)19(16)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,22)
InChIKeySCJLOJDIFNWJKI-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
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 3-phenyl-5-(phenylmethoxymethyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-phenyl-5-(phenylmethoxymethyl)-2-sulfanylideneimidazolidin-4-one (CID 15295750) is 3-phenyl-5-(phenylmethoxymethyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-phenyl-5-(phenylmethoxymethyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-phenyl-5-(phenylmethoxymethyl)-2-sulfanylideneimidazolidin-4-one is O=C1C(COCc2ccccc2)NC(=S)N1c1ccccc1.
What is the InChIKey of 3-phenyl-5-(phenylmethoxymethyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is SCJLOJDIFNWJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c20-16-15(12-21-11-13-7-3-1-4-8-13)18-17(22)19(16)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,22).
What are the key properties of 3-phenyl-5-(phenylmethoxymethyl)-2-sulfanylideneimidazolidin-4-one?
3-phenyl-5-(phenylmethoxymethyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 312.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(phenylmethoxymethyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 15295750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).