3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

C15H12N2O3S — CID 4775792

IUPAC3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(=Cc2ccc(O)cc2)NC(=S)N1Cc1ccco1
InChIInChI=1S/C15H12N2O3S/c18-11-5-3-10(4-6-11)8-13-14(19)17(15(21)16-13)9-12-2-1-7-20-12/h1-8,18H,9H2,(H,16,21)
InChIKeyRECTZYIPFZMWBE-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.24
Rot. Bonds3

About 3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 4775792) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID4775792
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(=Cc2ccc(O)cc2)NC(=S)N1Cc1ccco1
InChIInChI=1S/C15H12N2O3S/c18-11-5-3-10(4-6-11)8-13-14(19)17(15(21)16-13)9-12-2-1-7-20-12/h1-8,18H,9H2,(H,16,21)
InChIKeyRECTZYIPFZMWBE-UHFFFAOYSA-N
XLogP2.24
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 4775792) is 3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is O=C1C(=Cc2ccc(O)cc2)NC(=S)N1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is RECTZYIPFZMWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c18-11-5-3-10(4-6-11)8-13-14(19)17(15(21)16-13)9-12-2-1-7-20-12/h1-8,18H,9H2,(H,16,21).
What are the key properties of 3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 300.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 4775792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).