(5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione

C20H19FN2O3 — CID 126241559

IUPAC(5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O
InChIInChI=1S/C20H19FN2O3/c1-2-10-23-19(24)18(22-20(23)25)12-14-6-8-17(9-7-14)26-13-15-4-3-5-16(21)11-15/h3-9,11-12H,2,10,13H2,1H3,(H,22,25)/b18-12+
InChIKeyPDIXXURGBNAVPY-LDADJPATSA-N
MW354.38 g/mol
LogP3.71
Rot. Bonds6

About (5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione

(5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione (PubChem CID 126241559) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is (5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
PubChem CID126241559
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name(5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O
InChIInChI=1S/C20H19FN2O3/c1-2-10-23-19(24)18(22-20(23)25)12-14-6-8-17(9-7-14)26-13-15-4-3-5-16(21)11-15/h3-9,11-12H,2,10,13H2,1H3,(H,22,25)/b18-12+
InChIKeyPDIXXURGBNAVPY-LDADJPATSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
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-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126259753
(5E)-5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126234865
(5E)-3-ethyl-5-[[4-[(3-fluorophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126256171
(5E)-5-[[2-bromo-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126253809
5-[(4-phenylmethoxyphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
CID 4167282
(5Z)-5-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
CID 6295524
(5Z)-3-ethyl-5-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 17265718
(5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126255528
(5E)-3-ethyl-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126173351
(5E)-5-[[3-bromo-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione
CID 126194821
(5E)-1-(4-ethoxyphenyl)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 2294889
3-[[4-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid
CID 126202491

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione (CID 126241559) is (5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione is CCCN1C(=O)N/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O.
What is the InChIKey of (5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione?
The InChIKey is PDIXXURGBNAVPY-LDADJPATSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-2-10-23-19(24)18(22-20(23)25)12-14-6-8-17(9-7-14)26-13-15-4-3-5-16(21)11-15/h3-9,11-12H,2,10,13H2,1H3,(H,22,25)/b18-12+.
What are the key properties of (5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione?
(5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione has a molecular weight of 354.38 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 126241559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).