(5E)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-propylimidazolidine-2,4-dione

C26H25BrN2O4 — CID 126249029

IUPAC(5E)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)C1=O
InChIInChI=1S/C26H25BrN2O4/c1-3-12-29-25(30)22(28-26(29)31)14-17-13-21(27)24(23(15-17)32-4-2)33-16-19-10-7-9-18-8-5-6-11-20(18)19/h5-11,13-15H,3-4,12,16H2,1-2H3,(H,28,31)/b22-14+
InChIKeyWFEWLMYWRBVTOT-HYARGMPZSA-N
MW509.40 g/mol
LogP5.88
Rot. Bonds8

About (5E)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-propylimidazolidine-2,4-dione

(5E)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-propylimidazolidine-2,4-dione (PubChem CID 126249029) has the molecular formula C26H25BrN2O4 and a molecular weight of 509.40 g/mol. Its IUPAC name is (5E)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-propylimidazolidine-2,4-dione
PubChem CID126249029
Molecular FormulaC26H25BrN2O4
Molecular Weight509.40 g/mol
Exact Mass508.10
IUPAC Name(5E)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)C1=O
InChIInChI=1S/C26H25BrN2O4/c1-3-12-29-25(30)22(28-26(29)31)14-17-13-21(27)24(23(15-17)32-4-2)33-16-19-10-7-9-18-8-5-6-11-20(18)19/h5-11,13-15H,3-4,12,16H2,1-2H3,(H,28,31)/b22-14+
InChIKeyWFEWLMYWRBVTOT-HYARGMPZSA-N
XLogP5.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.40
LogP ≤ 55.88
H-Bond Donors ≤ 51
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

(5E)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126174202
2-[(4E)-4-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126210144
(5Z)-5-[[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126024001
(5E)-5-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126154456
(5E)-5-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126025086
(5Z)-3-benzyl-5-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126204955
(5E)-5-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126172272
2-[[4-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]-2-ethoxy-6-iodophenoxy]methyl]benzonitrile
CID 126251766
(5Z)-5-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 2217471
(5E)-5-[[2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126130367
(5E)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 126074320
(5Z)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 56727948

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-propylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-propylimidazolidine-2,4-dione (CID 126249029) is (5E)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-propylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-propylimidazolidine-2,4-dione is CCCN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)C1=O.
What is the InChIKey of (5E)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-propylimidazolidine-2,4-dione?
The InChIKey is WFEWLMYWRBVTOT-HYARGMPZSA-N. The full InChI is InChI=1S/C26H25BrN2O4/c1-3-12-29-25(30)22(28-26(29)31)14-17-13-21(27)24(23(15-17)32-4-2)33-16-19-10-7-9-18-8-5-6-11-20(18)19/h5-11,13-15H,3-4,12,16H2,1-2H3,(H,28,31)/b22-14+.
What are the key properties of (5E)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-propylimidazolidine-2,4-dione?
(5E)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-propylimidazolidine-2,4-dione has a molecular weight of 509.40 g/mol, XLogP of 5.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 126249029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).