5-[[4-(diethoxymethyl)phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione

C27H26N2O5 — CID 69395355

IUPAC5-[[4-(diethoxymethyl)phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
SMILESCCOC(OCC)c1ccc(C=C2NC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1
InChIInChI=1S/C27H26N2O5/c1-3-32-26(33-4-2)20-12-10-19(11-13-20)18-24-25(30)29(27(31)28-24)21-14-16-23(17-15-21)34-22-8-6-5-7-9-22/h5-18,26H,3-4H2,1-2H3,(H,28,31)
InChIKeyHWPFEJHARRYJIW-UHFFFAOYSA-N
MW458.51 g/mol
LogP5.65
Rot. Bonds9

About 5-[[4-(diethoxymethyl)phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione

5-[[4-(diethoxymethyl)phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione (PubChem CID 69395355) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is 5-[[4-(diethoxymethyl)phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(diethoxymethyl)phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
PubChem CID69395355
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC Name5-[[4-(diethoxymethyl)phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
SMILESCCOC(OCC)c1ccc(C=C2NC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1
InChIInChI=1S/C27H26N2O5/c1-3-32-26(33-4-2)20-12-10-19(11-13-20)18-24-25(30)29(27(31)28-24)21-14-16-23(17-15-21)34-22-8-6-5-7-9-22/h5-18,26H,3-4H2,1-2H3,(H,28,31)
InChIKeyHWPFEJHARRYJIW-UHFFFAOYSA-N
XLogP5.65
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.51
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2929418
(5Z)-3-(4-phenoxyphenyl)-5-[[4-(piperazin-1-ylmethyl)phenyl]methylidene]imidazolidine-2,4-dione
CID 71214316
3-phenyl-5-[(4-phenylphenyl)methylidene]imidazolidine-2,4-dione
CID 2928322
2-[4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]acetate
CID 7269294
5-[(4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 4599781
5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 4272376
(5E)-3-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 1209667
5-[(4-ethoxyphenyl)methylidene]-1-(4-phenoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 90709855
(5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 2177673
2-[4-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide
CID 2925783
(5Z)-5-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2301053
5-[(5-bromo-2-ethoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 3994258

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(diethoxymethyl)phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[[4-(diethoxymethyl)phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione (CID 69395355) is 5-[[4-(diethoxymethyl)phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-(diethoxymethyl)phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[[4-(diethoxymethyl)phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione is CCOC(OCC)c1ccc(C=C2NC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1.
What is the InChIKey of 5-[[4-(diethoxymethyl)phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is HWPFEJHARRYJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-3-32-26(33-4-2)20-12-10-19(11-13-20)18-24-25(30)29(27(31)28-24)21-14-16-23(17-15-21)34-22-8-6-5-7-9-22/h5-18,26H,3-4H2,1-2H3,(H,28,31).
What are the key properties of 5-[[4-(diethoxymethyl)phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione?
5-[[4-(diethoxymethyl)phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 458.51 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(diethoxymethyl)phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 69395355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).