5-[(2-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one

C16H14N2O2S — CID 5111419

IUPAC5-[(2-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(Cc2ccccc2O)NC(=S)N1c1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-14-9-5-4-6-11(14)10-13-15(20)18(16(21)17-13)12-7-2-1-3-8-12/h1-9,13,19H,10H2,(H,17,21)
InChIKeyLZQQFVYGQLFZIO-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.22
Rot. Bonds3

About 5-[(2-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one

5-[(2-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 5111419) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-[(2-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[(2-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID5111419
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name5-[(2-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(Cc2ccccc2O)NC(=S)N1c1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-14-9-5-4-6-11(14)10-13-15(20)18(16(21)17-13)12-7-2-1-3-8-12/h1-9,13,19H,10H2,(H,17,21)
InChIKeyLZQQFVYGQLFZIO-UHFFFAOYSA-N
XLogP2.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
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-[(2-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-[(2-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one (CID 5111419) is 5-[(2-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[(2-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-[(2-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one is O=C1C(Cc2ccccc2O)NC(=S)N1c1ccccc1.
What is the InChIKey of 5-[(2-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is LZQQFVYGQLFZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-14-9-5-4-6-11(14)10-13-15(20)18(16(21)17-13)12-7-2-1-3-8-12/h1-9,13,19H,10H2,(H,17,21).
What are the key properties of 5-[(2-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
5-[(2-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 298.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 5111419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).