(5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione

C19H15Br2FN2O4 — CID 1005267

IUPAC(5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(Br)c(Br)c1O
InChIInChI=1S/C19H15Br2FN2O4/c1-2-28-14-8-11(15(20)16(21)17(14)25)7-13-18(26)24(19(27)23-13)9-10-5-3-4-6-12(10)22/h3-8,25H,2,9H2,1H3,(H,23,27)/b13-7+
InChIKeyFLYNQEFGXQNVIY-NTUHNPAUSA-N
MW514.15 g/mol
LogP4.55
Rot. Bonds5

About (5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione

(5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 1005267) has the molecular formula C19H15Br2FN2O4 and a molecular weight of 514.15 g/mol. Its IUPAC name is (5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID1005267
Molecular FormulaC19H15Br2FN2O4
Molecular Weight514.15 g/mol
Exact Mass511.94
IUPAC Name(5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(Br)c(Br)c1O
InChIInChI=1S/C19H15Br2FN2O4/c1-2-28-14-8-11(15(20)16(21)17(14)25)7-13-18(26)24(19(27)23-13)9-10-5-3-4-6-12(10)22/h3-8,25H,2,9H2,1H3,(H,23,27)/b13-7+
InChIKeyFLYNQEFGXQNVIY-NTUHNPAUSA-N
XLogP4.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.15
LogP ≤ 54.55
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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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione (CID 1005267) is (5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(Br)c(Br)c1O.
What is the InChIKey of (5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is FLYNQEFGXQNVIY-NTUHNPAUSA-N. The full InChI is InChI=1S/C19H15Br2FN2O4/c1-2-28-14-8-11(15(20)16(21)17(14)25)7-13-18(26)24(19(27)23-13)9-10-5-3-4-6-12(10)22/h3-8,25H,2,9H2,1H3,(H,23,27)/b13-7+.
What are the key properties of (5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
(5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 514.15 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 1005267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).