(5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

C10H6Br2N2O2S — CID 998472

IUPAC(5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C\c1cc(Br)cc(Br)c1O
InChIInChI=1S/C10H6Br2N2O2S/c11-5-1-4(8(15)6(12)3-5)2-7-9(16)14-10(17)13-7/h1-3,15H,(H2,13,14,16,17)/b7-2-
InChIKeyLZPGGHKJSQSUDE-UQCOIBPSSA-N
MW378.05 g/mol
LogP2.26
Rot. Bonds1

About (5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 998472) has the molecular formula C10H6Br2N2O2S and a molecular weight of 378.05 g/mol. Its IUPAC name is (5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID998472
Molecular FormulaC10H6Br2N2O2S
Molecular Weight378.05 g/mol
Exact Mass375.85
IUPAC Name(5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C\c1cc(Br)cc(Br)c1O
InChIInChI=1S/C10H6Br2N2O2S/c11-5-1-4(8(15)6(12)3-5)2-7-9(16)14-10(17)13-7/h1-3,15H,(H2,13,14,16,17)/b7-2-
InChIKeyLZPGGHKJSQSUDE-UQCOIBPSSA-N
XLogP2.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.05
LogP ≤ 52.26
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 998472) is (5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)N/C1=C\c1cc(Br)cc(Br)c1O.
What is the InChIKey of (5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is LZPGGHKJSQSUDE-UQCOIBPSSA-N. The full InChI is InChI=1S/C10H6Br2N2O2S/c11-5-1-4(8(15)6(12)3-5)2-7-9(16)14-10(17)13-7/h1-3,15H,(H2,13,14,16,17)/b7-2-.
What are the key properties of (5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 378.05 g/mol, XLogP of 2.26, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 998472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).