2-[(4Z)-4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-hydroxyphenyl)acetamide

C18H13Br2N3O5 — CID 16632760

IUPAC2-[(4Z)-4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-hydroxyphenyl)acetamide
SMILESO=C(CN1C(=O)N/C(=C\c2cc(Br)cc(Br)c2O)C1=O)Nc1ccc(O)cc1
InChIInChI=1S/C18H13Br2N3O5/c19-10-5-9(16(26)13(20)7-10)6-14-17(27)23(18(28)22-14)8-15(25)21-11-1-3-12(24)4-2-11/h1-7,24,26H,8H2,(H,21,25)(H,22,28)/b14-6-
InChIKeyYVWAGYMRRAGEJK-NSIKDUERSA-N
MW511.13 g/mol
LogP3.15
Rot. Bonds4

About 2-[(4Z)-4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-hydroxyphenyl)acetamide

2-[(4Z)-4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-hydroxyphenyl)acetamide (PubChem CID 16632760) has the molecular formula C18H13Br2N3O5 and a molecular weight of 511.13 g/mol. Its IUPAC name is 2-[(4Z)-4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4Z)-4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-hydroxyphenyl)acetamide
PubChem CID16632760
Molecular FormulaC18H13Br2N3O5
Molecular Weight511.13 g/mol
Exact Mass508.92
IUPAC Name2-[(4Z)-4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-hydroxyphenyl)acetamide
SMILESO=C(CN1C(=O)N/C(=C\c2cc(Br)cc(Br)c2O)C1=O)Nc1ccc(O)cc1
InChIInChI=1S/C18H13Br2N3O5/c19-10-5-9(16(26)13(20)7-10)6-14-17(27)23(18(28)22-14)8-15(25)21-11-1-3-12(24)4-2-11/h1-7,24,26H,8H2,(H,21,25)(H,22,28)/b14-6-
InChIKeyYVWAGYMRRAGEJK-NSIKDUERSA-N
XLogP3.15
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.13
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 16797924
2-[(4E)-4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126112749
2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 16632921
N-(4-ethoxyphenyl)-2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632796
(5E)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126248234
N-(4-chlorophenyl)-2-[(5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
CID 16629084
2-[(4E)-4-[(2-bromo-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126030684
2-[(4E)-4-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126022948
2-[(4Z)-4-[(5-chloro-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 16632702
N-(4-fluorophenyl)-2-[(4Z)-4-[(2-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632699
N-(4-fluorophenyl)-2-[4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3410133
2-[4-[(5-chloro-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 4587173

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-hydroxyphenyl)acetamide?
The IUPAC name of 2-[(4Z)-4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-hydroxyphenyl)acetamide (CID 16632760) is 2-[(4Z)-4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[(4Z)-4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[(4Z)-4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-hydroxyphenyl)acetamide is O=C(CN1C(=O)N/C(=C\c2cc(Br)cc(Br)c2O)C1=O)Nc1ccc(O)cc1.
What is the InChIKey of 2-[(4Z)-4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-hydroxyphenyl)acetamide?
The InChIKey is YVWAGYMRRAGEJK-NSIKDUERSA-N. The full InChI is InChI=1S/C18H13Br2N3O5/c19-10-5-9(16(26)13(20)7-10)6-14-17(27)23(18(28)22-14)8-15(25)21-11-1-3-12(24)4-2-11/h1-7,24,26H,8H2,(H,21,25)(H,22,28)/b14-6-.
What are the key properties of 2-[(4Z)-4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-hydroxyphenyl)acetamide?
2-[(4Z)-4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-hydroxyphenyl)acetamide has a molecular weight of 511.13 g/mol, XLogP of 3.15, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 16632760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).