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

C19H17FN2O4 — CID 1210425

IUPAC(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1O
InChIInChI=1S/C19H17FN2O4/c1-2-26-17-10-12(7-8-16(17)23)9-15-18(24)22(19(25)21-15)11-13-5-3-4-6-14(13)20/h3-10,23H,2,11H2,1H3,(H,21,25)/b15-9+
InChIKeyXGMDUUZARSWUGV-OQLLNIDSSA-N
MW356.35 g/mol
LogP3.02
Rot. Bonds5

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

(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 1210425) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is (5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID1210425
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1O
InChIInChI=1S/C19H17FN2O4/c1-2-26-17-10-12(7-8-16(17)23)9-15-18(24)22(19(25)21-15)11-13-5-3-4-6-14(13)20/h3-10,23H,2,11H2,1H3,(H,21,25)/b15-9+
InChIKeyXGMDUUZARSWUGV-OQLLNIDSSA-N
XLogP3.02
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.02
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

methyl 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6092913
4-(4-((3-ethoxy-4-hydroxyphenyl)methylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl)-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
CID 2389205
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 3239203
(5Z)-5-{4-[(2-fluorobenzyl)oxy]-3-methoxybenzylidene}-3-methyl-2-thioxoimidazolidin-4-one
CID 5433603
(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
CID 5514790
(5Z)-5-{4-[(3-fluorobenzyl)oxy]-3-methoxybenzylidene}-3-methyl-2-thioxoimidazolidin-4-one
CID 5851045
(5E)-3-[(2-fluorophenyl)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 5856637
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 5962759
(5E)-3-(2-fluorobenzyl)-5-(4-hydroxy-3,5-dimethoxybenzylidene)imidazolidine-2,4-dione
CID 5981014
2-[4-(3-ethoxy-4-hydroxybenzylidene)-2,5-dioxo-1-imidazolidinyl]-N-(3-methylphenyl)acetamide
CID 6045577
2-[4-(3-ethoxy-2-hydroxybenzylidene)-2,5-dioxo-1-imidazolidinyl]-N-(3-methylphenyl)acetamide
CID 6261030
2-[(4E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 7326491

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione (CID 1210425) is (5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1O.
What is the InChIKey of (5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is XGMDUUZARSWUGV-OQLLNIDSSA-N. The full InChI is InChI=1S/C19H17FN2O4/c1-2-26-17-10-12(7-8-16(17)23)9-15-18(24)22(19(25)21-15)11-13-5-3-4-6-14(13)20/h3-10,23H,2,11H2,1H3,(H,21,25)/b15-9+.
What are the key properties of (5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 356.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 1210425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).