(5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione

C11H8Br2N2O3 — CID 19374978

IUPAC(5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N/C(=C/c2cc(Br)c(O)c(Br)c2)C1=O
InChIInChI=1S/C11H8Br2N2O3/c1-15-10(17)8(14-11(15)18)4-5-2-6(12)9(16)7(13)3-5/h2-4,16H,1H3,(H,14,18)/b8-4+
InChIKeyIYINTGNJQRFJLC-XBXARRHUSA-N
MW376.00 g/mol
LogP2.44
Rot. Bonds1

About (5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione

(5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione (PubChem CID 19374978) has the molecular formula C11H8Br2N2O3 and a molecular weight of 376.00 g/mol. Its IUPAC name is (5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione
PubChem CID19374978
Molecular FormulaC11H8Br2N2O3
Molecular Weight376.00 g/mol
Exact Mass373.89
IUPAC Name(5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N/C(=C/c2cc(Br)c(O)c(Br)c2)C1=O
InChIInChI=1S/C11H8Br2N2O3/c1-15-10(17)8(14-11(15)18)4-5-2-6(12)9(16)7(13)3-5/h2-4,16H,1H3,(H,14,18)/b8-4+
InChIKeyIYINTGNJQRFJLC-XBXARRHUSA-N
XLogP2.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.00
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126251195
(5Z)-3-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126092252
5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 78472496
2-[2-bromo-4-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetic acid
CID 126202027
(5E)-5-[(2-bromophenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 126200968
(5E)-5-[(3-bromo-5-chloro-4-phenylmethoxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 126200953
(5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126250470
(5E)-5-[[3-bromo-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione
CID 126194821
(5E)-5-[(5-chloro-2-hydroxy-3-iodophenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 126201992
(3E,5E)-3,5-bis[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-methylpiperidin-4-one
CID 24827558
2-[2-bromo-6-methoxy-4-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide
CID 126198864
methyl 2-[4-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 4008187

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione (CID 19374978) is (5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione is CN1C(=O)N/C(=C/c2cc(Br)c(O)c(Br)c2)C1=O.
What is the InChIKey of (5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione?
The InChIKey is IYINTGNJQRFJLC-XBXARRHUSA-N. The full InChI is InChI=1S/C11H8Br2N2O3/c1-15-10(17)8(14-11(15)18)4-5-2-6(12)9(16)7(13)3-5/h2-4,16H,1H3,(H,14,18)/b8-4+.
What are the key properties of (5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione?
(5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione has a molecular weight of 376.00 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 19374978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).