(5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione

C24H28N2O3 — CID 126027410

IUPAC(5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESCC(C)(C)c1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H28N2O3/c1-23(2,3)17-12-15(13-18(20(17)27)24(4,5)6)14-19-21(28)26(22(29)25-19)16-10-8-7-9-11-16/h7-14,27H,1-6H3,(H,25,29)/b19-14+
InChIKeyUKUAGUHZTRGJQU-XMHGGMMESA-N
MW392.50 g/mol
LogP5.08
Rot. Bonds2

About (5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione

(5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione (PubChem CID 126027410) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is (5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
PubChem CID126027410
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name(5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESCC(C)(C)c1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H28N2O3/c1-23(2,3)17-12-15(13-18(20(17)27)24(4,5)6)14-19-21(28)26(22(29)25-19)16-10-8-7-9-11-16/h7-14,27H,1-6H3,(H,25,29)/b19-14+
InChIKeyUKUAGUHZTRGJQU-XMHGGMMESA-N
XLogP5.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.08
H-Bond Donors ≤ 52
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

5-[(4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 4599781
3-phenyl-5-[(4-phenylphenyl)methylidene]imidazolidine-2,4-dione
CID 2928322
(5E)-3-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 1209667
5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2929954
(4E)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 135754554
4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 91505289
5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 4272376
(5Z)-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2177829
1-(4-bromo-3-methylphenyl)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6791254
4-[(5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid
CID 126196758
5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2925977
2-[4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]acetate
CID 7269294

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione (CID 126027410) is (5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione is CC(C)(C)c1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(C(C)(C)C)c1O.
What is the InChIKey of (5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione?
The InChIKey is UKUAGUHZTRGJQU-XMHGGMMESA-N. The full InChI is InChI=1S/C24H28N2O3/c1-23(2,3)17-12-15(13-18(20(17)27)24(4,5)6)14-19-21(28)26(22(29)25-19)16-10-8-7-9-11-16/h7-14,27H,1-6H3,(H,25,29)/b19-14+.
What are the key properties of (5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione?
(5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione has a molecular weight of 392.50 g/mol, XLogP of 5.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 126027410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).