5-[(2-Hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one
Basic information
- CAS
329350-54-1- Standard SMILES
O=C1C(Cc2ccccc2O)NC(=S)N1c1ccccc1- InChIKey
LZQQFVYGQLFZIO-UHFFFAOYSA-N- Molecular formula
- C16H14N2O2S
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.07759887
Names & identifiers
- Preferred name
- 5-[(2-Hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one
- IUPAC
- 5-[(2-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one
Names & synonyms
5-[(2-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one5-(2-hydroxybenzyl)-3-phenyl-2-thioxoimidazolidin-4-oneOprea1_251509329350-54-1MLS000777434CHEMBL1483181DTXSID401333460HMS2762J19STL323956AKOS022140039SMR0004137875-(2-Hydroxy-benzyl)-3-phenyl-2-thioxo-imidazolidin-4-one
Database identifiers
- CAS
329350-54-1- PubChem CID
- 5111419
- DTXSID
DTXSID401333460- ChEMBL
CHEMBL1483181
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 409
Experimental & physicochemical properties
Solubility44.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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