(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

C10H7BrN2O2S — CID 870536

IUPAC(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C/c1cc(Br)ccc1O
InChIInChI=1S/C10H7BrN2O2S/c11-6-1-2-8(14)5(3-6)4-7-9(15)13-10(16)12-7/h1-4,14H,(H2,12,13,15,16)/b7-4+
InChIKeySEOSGSHCDDALFE-QPJJXVBHSA-N
MW299.15 g/mol
LogP1.50
Rot. Bonds1

About (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 870536) has the molecular formula C10H7BrN2O2S and a molecular weight of 299.15 g/mol. Its IUPAC name is (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID870536
Molecular FormulaC10H7BrN2O2S
Molecular Weight299.15 g/mol
Exact Mass297.94
IUPAC Name(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C/c1cc(Br)ccc1O
InChIInChI=1S/C10H7BrN2O2S/c11-6-1-2-8(14)5(3-6)4-7-9(15)13-10(16)12-7/h1-4,14H,(H2,12,13,15,16)/b7-4+
InChIKeySEOSGSHCDDALFE-QPJJXVBHSA-N
XLogP1.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 870536) is (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)N/C1=C/c1cc(Br)ccc1O.
What is the InChIKey of (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is SEOSGSHCDDALFE-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H7BrN2O2S/c11-6-1-2-8(14)5(3-6)4-7-9(15)13-10(16)12-7/h1-4,14H,(H2,12,13,15,16)/b7-4+.
What are the key properties of (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 299.15 g/mol, XLogP of 1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 870536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).