(5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-2,3-dimethylimidazol-4-one

C12H11BrN2O2 — CID 168727603

IUPAC(5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-2,3-dimethylimidazol-4-one
SMILESCC1=N/C(=C\c2ccc(O)c(Br)c2)C(=O)N1C
InChIInChI=1S/C12H11BrN2O2/c1-7-14-10(12(17)15(7)2)6-8-3-4-11(16)9(13)5-8/h3-6,16H,1-2H3/b10-6-
InChIKeyAIEJQCBKDROFJT-POHAHGRESA-N
MW295.14 g/mol
LogP2.39
Rot. Bonds1

About (5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-2,3-dimethylimidazol-4-one

(5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-2,3-dimethylimidazol-4-one (PubChem CID 168727603) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is (5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-2,3-dimethylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-2,3-dimethylimidazol-4-one
PubChem CID168727603
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name(5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-2,3-dimethylimidazol-4-one
SMILESCC1=N/C(=C\c2ccc(O)c(Br)c2)C(=O)N1C
InChIInChI=1S/C12H11BrN2O2/c1-7-14-10(12(17)15(7)2)6-8-3-4-11(16)9(13)5-8/h3-6,16H,1-2H3/b10-6-
InChIKeyAIEJQCBKDROFJT-POHAHGRESA-N
XLogP2.39
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-2,3-dimethylimidazol-4-one?
The IUPAC name of (5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-2,3-dimethylimidazol-4-one (CID 168727603) is (5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-2,3-dimethylimidazol-4-one.
What is the SMILES notation for (5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-2,3-dimethylimidazol-4-one?
The canonical SMILES for (5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-2,3-dimethylimidazol-4-one is CC1=N/C(=C\c2ccc(O)c(Br)c2)C(=O)N1C.
What is the InChIKey of (5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-2,3-dimethylimidazol-4-one?
The InChIKey is AIEJQCBKDROFJT-POHAHGRESA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-7-14-10(12(17)15(7)2)6-8-3-4-11(16)9(13)5-8/h3-6,16H,1-2H3/b10-6-.
What are the key properties of (5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-2,3-dimethylimidazol-4-one?
(5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-2,3-dimethylimidazol-4-one has a molecular weight of 295.14 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-2,3-dimethylimidazol-4-one is sourced from PubChem (CID 168727603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).