5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione

C17H13BrN2O4 — CID 2925977

IUPAC5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESCOc1cc(Br)cc(C=C2NC(=O)N(c3ccccc3)C2=O)c1O
InChIInChI=1S/C17H13BrN2O4/c1-24-14-9-11(18)7-10(15(14)21)8-13-16(22)20(17(23)19-13)12-5-3-2-4-6-12/h2-9,21H,1H3,(H,19,23)
InChIKeyIZIYHNZAEVMRRM-UHFFFAOYSA-N
MW389.21 g/mol
LogP3.26
Rot. Bonds3

About 5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione

5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione (PubChem CID 2925977) has the molecular formula C17H13BrN2O4 and a molecular weight of 389.21 g/mol. Its IUPAC name is 5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
PubChem CID2925977
Molecular FormulaC17H13BrN2O4
Molecular Weight389.21 g/mol
Exact Mass388.01
IUPAC Name5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESCOc1cc(Br)cc(C=C2NC(=O)N(c3ccccc3)C2=O)c1O
InChIInChI=1S/C17H13BrN2O4/c1-24-14-9-11(18)7-10(15(14)21)8-13-16(22)20(17(23)19-13)12-5-3-2-4-6-12/h2-9,21H,1H3,(H,19,23)
InChIKeyIZIYHNZAEVMRRM-UHFFFAOYSA-N
XLogP3.26
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.21
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2177829
5-[(5-bromo-2-ethoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 3994258
(5Z)-5-[(5-chloro-2-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2177854
(5Z)-5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 2269268
(5E)-3-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 1209667
5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2929954
2-[(4E)-4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126112749
5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-1-(4-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6817176
5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2844355
5-[(4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 4599781
(5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 126027410
3-[[4-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid
CID 3919260

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione (CID 2925977) is 5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione is COc1cc(Br)cc(C=C2NC(=O)N(c3ccccc3)C2=O)c1O.
What is the InChIKey of 5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione?
The InChIKey is IZIYHNZAEVMRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O4/c1-24-14-9-11(18)7-10(15(14)21)8-13-16(22)20(17(23)19-13)12-5-3-2-4-6-12/h2-9,21H,1H3,(H,19,23).
What are the key properties of 5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione?
5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione has a molecular weight of 389.21 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 2925977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).