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

C18H18N2O3S — CID 73321398

IUPAC5-[(4-hydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(CN2C(=O)C(Cc3ccc(O)cc3)NC2=S)cc1
InChIInChI=1S/C18H18N2O3S/c1-23-15-8-4-13(5-9-15)11-20-17(22)16(19-18(20)24)10-12-2-6-14(21)7-3-12/h2-9,16,21H,10-11H2,1H3,(H,19,24)
InChIKeyTZALZJBNUUTQIL-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.23
Rot. Bonds5

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

5-[(4-hydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one (PubChem CID 73321398) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
PubChem CID73321398
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name5-[(4-hydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(CN2C(=O)C(Cc3ccc(O)cc3)NC2=S)cc1
InChIInChI=1S/C18H18N2O3S/c1-23-15-8-4-13(5-9-15)11-20-17(22)16(19-18(20)24)10-12-2-6-14(21)7-3-12/h2-9,16,21H,10-11H2,1H3,(H,19,24)
InChIKeyTZALZJBNUUTQIL-UHFFFAOYSA-N
XLogP2.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4-hydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-[(4-hydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one (CID 73321398) is 5-[(4-hydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-[(4-hydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one is COc1ccc(CN2C(=O)C(Cc3ccc(O)cc3)NC2=S)cc1.
What is the InChIKey of 5-[(4-hydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is TZALZJBNUUTQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-23-15-8-4-13(5-9-15)11-20-17(22)16(19-18(20)24)10-12-2-6-14(21)7-3-12/h2-9,16,21H,10-11H2,1H3,(H,19,24).
What are the key properties of 5-[(4-hydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
5-[(4-hydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 342.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 73321398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).