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

C18H15FN2O4 — CID 44516933

IUPAC(5Z)-5-[(4-ethoxy-3-hydroxyphenyl)methylidene]-3-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCOc1ccc(/C=C2\NC(=O)N(c3ccc(F)cc3)C2=O)cc1O
InChIInChI=1S/C18H15FN2O4/c1-2-25-16-8-3-11(10-15(16)22)9-14-17(23)21(18(24)20-14)13-6-4-12(19)5-7-13/h3-10,22H,2H2,1H3,(H,20,24)/b14-9-
InChIKeyOQUWGRJKIOTOCC-ZROIWOOFSA-N
MW342.33 g/mol
LogP3.03
Rot. Bonds4

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

(5Z)-5-[(4-ethoxy-3-hydroxyphenyl)methylidene]-3-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 44516933) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is (5Z)-5-[(4-ethoxy-3-hydroxyphenyl)methylidene]-3-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-ethoxy-3-hydroxyphenyl)methylidene]-3-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID44516933
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Name(5Z)-5-[(4-ethoxy-3-hydroxyphenyl)methylidene]-3-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCOc1ccc(/C=C2\NC(=O)N(c3ccc(F)cc3)C2=O)cc1O
InChIInChI=1S/C18H15FN2O4/c1-2-25-16-8-3-11(10-15(16)22)9-14-17(23)21(18(24)20-14)13-6-4-12(19)5-7-13/h3-10,22H,2H2,1H3,(H,20,24)/b14-9-
InChIKeyOQUWGRJKIOTOCC-ZROIWOOFSA-N
XLogP3.03
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 53.03
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

5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 76711019
(5Z)-3-(3-chlorophenyl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6520407
(5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 126019229
(5E)-3-(3-chlorophenyl)-5-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126106754
(5E)-3-[(4-fluorophenyl)methyl]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 750602
(5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-(4-ethoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CID 5294448
5-[(5-bromo-2-ethoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 3994258
(5E)-3-(4-ethoxyphenyl)-5-[[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19547458
5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2770030
5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 1004078
(5E)-3-(4-chlorophenyl)-5-[(4-ethoxy-3-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 87241484
(5E)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-3-(4-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 19545860

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-ethoxy-3-hydroxyphenyl)methylidene]-3-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-ethoxy-3-hydroxyphenyl)methylidene]-3-(4-fluorophenyl)imidazolidine-2,4-dione (CID 44516933) is (5Z)-5-[(4-ethoxy-3-hydroxyphenyl)methylidene]-3-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-ethoxy-3-hydroxyphenyl)methylidene]-3-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-ethoxy-3-hydroxyphenyl)methylidene]-3-(4-fluorophenyl)imidazolidine-2,4-dione is CCOc1ccc(/C=C2\NC(=O)N(c3ccc(F)cc3)C2=O)cc1O.
What is the InChIKey of (5Z)-5-[(4-ethoxy-3-hydroxyphenyl)methylidene]-3-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is OQUWGRJKIOTOCC-ZROIWOOFSA-N. The full InChI is InChI=1S/C18H15FN2O4/c1-2-25-16-8-3-11(10-15(16)22)9-14-17(23)21(18(24)20-14)13-6-4-12(19)5-7-13/h3-10,22H,2H2,1H3,(H,20,24)/b14-9-.
What are the key properties of (5Z)-5-[(4-ethoxy-3-hydroxyphenyl)methylidene]-3-(4-fluorophenyl)imidazolidine-2,4-dione?
(5Z)-5-[(4-ethoxy-3-hydroxyphenyl)methylidene]-3-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 342.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-ethoxy-3-hydroxyphenyl)methylidene]-3-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 44516933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).