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

C16H14N2O2S — CID 2872399

IUPAC5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(Cc2ccc(O)cc2)NC(=S)N1c1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-13-8-6-11(7-9-13)10-14-15(20)18(16(21)17-14)12-4-2-1-3-5-12/h1-9,14,19H,10H2,(H,17,21)
InChIKeyLCFDDJINTNHAEQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.22
Rot. Bonds3

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

5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 2872399) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID2872399
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(Cc2ccc(O)cc2)NC(=S)N1c1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-13-8-6-11(7-9-13)10-14-15(20)18(16(21)17-14)12-4-2-1-3-5-12/h1-9,14,19H,10H2,(H,17,21)
InChIKeyLCFDDJINTNHAEQ-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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Related Compounds

3-Benzyl-5-(4-hydroxybenzyl)-2-thioxo-4-imidazolidinone
CID 2856381
Tyr-D-Ala-Gly-NMePhe
CID 45483974
3-Cyclohexyl-5-(4-hydroxybenzyl)-2-thioxoimidazolidin-4-one
CID 5168702
5-Benzyl-3-(4-methoxyphenyl)-2-thioxoimidazolidin-4-one
CID 4003720
H-Tyr-Pro-Phe-NHPh
CID 44345720
5-[(2-Hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 5111419
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-({2-oxo-2-[4-(N-phenylpropanamido)piperidin-1-yl]ethyl}carbamoyl)ethyl]propanamide
CID 23635164
3-(4-hydroxyphenyl)-2-(phenylcarbamoylamino)propanoic Acid
CID 2926832
3-(3,4-Dimethylphenyl)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 4662038
(S)-N-(1-(2-amino-3-(4-hydroxyphenyl)propanoyl)piperidin-4-yl)-N-phenylpropionamide
CID 44425368
(5E)-5-(4-hydroxybenzylidene)-3-phenylimidazolidine-2,4-dione
CID 7299314
N-[2-[(4-chlorophenyl)carbamothioylamino]ethyl]-2-(4-hydroxyphenyl)acetamide
CID 2725844

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one (CID 2872399) is 5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one is O=C1C(Cc2ccc(O)cc2)NC(=S)N1c1ccccc1.
What is the InChIKey of 5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is LCFDDJINTNHAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-13-8-6-11(7-9-13)10-14-15(20)18(16(21)17-14)12-4-2-1-3-5-12/h1-9,14,19H,10H2,(H,17,21).
What are the key properties of 5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
5-[(4-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-[(4-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 2872399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).