(5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-3-phenylimidazolidine-2,4-dione

C25H20FIN2O4 — CID 126027202

IUPAC(5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-3-phenylimidazolidine-2,4-dione
SMILESCCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1F
InChIInChI=1S/C25H20FIN2O4/c1-2-32-22-14-16(12-20(27)23(22)33-15-17-8-6-7-11-19(17)26)13-21-24(30)29(25(31)28-21)18-9-4-3-5-10-18/h3-14H,2,15H2,1H3,(H,28,31)/b21-13+
InChIKeyRCWPXDSXEPJVLE-FYJGNVAPSA-N
MW558.35 g/mol
LogP5.51
Rot. Bonds7

About (5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-3-phenylimidazolidine-2,4-dione

(5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-3-phenylimidazolidine-2,4-dione (PubChem CID 126027202) has the molecular formula C25H20FIN2O4 and a molecular weight of 558.35 g/mol. Its IUPAC name is (5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-3-phenylimidazolidine-2,4-dione
PubChem CID126027202
Molecular FormulaC25H20FIN2O4
Molecular Weight558.35 g/mol
Exact Mass558.05
IUPAC Name(5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-3-phenylimidazolidine-2,4-dione
SMILESCCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1F
InChIInChI=1S/C25H20FIN2O4/c1-2-32-22-14-16(12-20(27)23(22)33-15-17-8-6-7-11-19(17)26)13-21-24(30)29(25(31)28-21)18-9-4-3-5-10-18/h3-14H,2,15H2,1H3,(H,28,31)/b21-13+
InChIKeyRCWPXDSXEPJVLE-FYJGNVAPSA-N
XLogP5.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.35
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-(4-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126178741
(5E)-5-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 126027322
(5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 98077864
(5E)-3-(4-chlorophenyl)-5-[[4-[(2-fluorophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126252026
(5E)-5-[(3-ethoxy-5-iodo-4-prop-2-enoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126076458
(5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 126019229
2-[4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxy-6-iodophenoxy]acetic acid
CID 126247576
(5E)-3-(4-chlorophenyl)-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126179138
5-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 50871585
(5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126152278
(5E)-3-(3-chlorophenyl)-5-[[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126071686
(5E)-3-(3-chlorophenyl)-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126100114

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-3-phenylimidazolidine-2,4-dione (CID 126027202) is (5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-3-phenylimidazolidine-2,4-dione is CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1F.
What is the InChIKey of (5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-3-phenylimidazolidine-2,4-dione?
The InChIKey is RCWPXDSXEPJVLE-FYJGNVAPSA-N. The full InChI is InChI=1S/C25H20FIN2O4/c1-2-32-22-14-16(12-20(27)23(22)33-15-17-8-6-7-11-19(17)26)13-21-24(30)29(25(31)28-21)18-9-4-3-5-10-18/h3-14H,2,15H2,1H3,(H,28,31)/b21-13+.
What are the key properties of (5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-3-phenylimidazolidine-2,4-dione?
(5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-3-phenylimidazolidine-2,4-dione has a molecular weight of 558.35 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 126027202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).