1-(3,4-diethoxyphenyl)imidazolidine-2,4,5-trione

C13H14N2O5 — CID 2117405

IUPAC1-(3,4-diethoxyphenyl)imidazolidine-2,4,5-trione
SMILESCCOc1ccc(N2C(=O)NC(=O)C2=O)cc1OCC
InChIInChI=1S/C13H14N2O5/c1-3-19-9-6-5-8(7-10(9)20-4-2)15-12(17)11(16)14-13(15)18/h5-7H,3-4H2,1-2H3,(H,14,16,18)
InChIKeyKBXJFZCEJKOVTG-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.07
Rot. Bonds5

About 1-(3,4-diethoxyphenyl)imidazolidine-2,4,5-trione

1-(3,4-diethoxyphenyl)imidazolidine-2,4,5-trione (PubChem CID 2117405) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)imidazolidine-2,4,5-trione
PubChem CID2117405
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name1-(3,4-diethoxyphenyl)imidazolidine-2,4,5-trione
SMILESCCOc1ccc(N2C(=O)NC(=O)C2=O)cc1OCC
InChIInChI=1S/C13H14N2O5/c1-3-19-9-6-5-8(7-10(9)20-4-2)15-12(17)11(16)14-13(15)18/h5-7H,3-4H2,1-2H3,(H,14,16,18)
InChIKeyKBXJFZCEJKOVTG-UHFFFAOYSA-N
XLogP1.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(2,4-dichlorophenyl)methylidene]-1-(3-ethoxy-4-propoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 126209826
1-(4-bromo-3-methylphenyl)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2883248
5-[(4-butoxy-3-ethoxyphenyl)methylidene]-1-(3,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione
CID 3391365
(5E)-1-(3-ethoxy-4-propoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 126208042
(5E)-1-(4-bromophenyl)-5-[(4-butoxy-3-ethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6277644
(5Z)-5-[(3,4-diethoxyphenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 1347862
1-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione
CID 110582980
2-[2-bromo-4-[(E)-[1-(3-ethoxy-4-propoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide
CID 126228277
(5E)-1-(4-bromo-3-methylphenyl)-5-[(2-ethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1366557
(5Z)-5-[(3-chloro-4-ethoxyphenyl)methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
CID 1372867
1-(3,4-diethoxyphenyl)-2,5-dimethylpyrrole
CID 43394734
5-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 3346432

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(3,4-diethoxyphenyl)imidazolidine-2,4,5-trione (CID 2117405) is 1-(3,4-diethoxyphenyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(3,4-diethoxyphenyl)imidazolidine-2,4,5-trione is CCOc1ccc(N2C(=O)NC(=O)C2=O)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)imidazolidine-2,4,5-trione?
The InChIKey is KBXJFZCEJKOVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-3-19-9-6-5-8(7-10(9)20-4-2)15-12(17)11(16)14-13(15)18/h5-7H,3-4H2,1-2H3,(H,14,16,18).
What are the key properties of 1-(3,4-diethoxyphenyl)imidazolidine-2,4,5-trione?
1-(3,4-diethoxyphenyl)imidazolidine-2,4,5-trione has a molecular weight of 278.26 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 2117405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).