(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dimethylimidazolidin-4-one

C14H18N2O4 — CID 138720142

IUPAC(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dimethylimidazolidin-4-one
SMILESCOc1cc(/C=C2\NC(C)N(C)C2=O)cc(OC)c1O
InChIInChI=1S/C14H18N2O4/c1-8-15-10(14(18)16(8)2)5-9-6-11(19-3)13(17)12(7-9)20-4/h5-8,15,17H,1-4H3/b10-5-
InChIKeyLXICNWAFJNOIJI-YHYXMXQVSA-N
MW278.31 g/mol
LogP1.16
Rot. Bonds3

About (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dimethylimidazolidin-4-one

(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dimethylimidazolidin-4-one (PubChem CID 138720142) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dimethylimidazolidin-4-one
PubChem CID138720142
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dimethylimidazolidin-4-one
SMILESCOc1cc(/C=C2\NC(C)N(C)C2=O)cc(OC)c1O
InChIInChI=1S/C14H18N2O4/c1-8-15-10(14(18)16(8)2)5-9-6-11(19-3)13(17)12(7-9)20-4/h5-8,15,17H,1-4H3/b10-5-
InChIKeyLXICNWAFJNOIJI-YHYXMXQVSA-N
XLogP1.16
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dimethylimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dimethylimidazolidin-4-one (CID 138720142) is (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dimethylimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dimethylimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dimethylimidazolidin-4-one is COc1cc(/C=C2\NC(C)N(C)C2=O)cc(OC)c1O.
What is the InChIKey of (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dimethylimidazolidin-4-one?
The InChIKey is LXICNWAFJNOIJI-YHYXMXQVSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-15-10(14(18)16(8)2)5-9-6-11(19-3)13(17)12(7-9)20-4/h5-8,15,17H,1-4H3/b10-5-.
What are the key properties of (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dimethylimidazolidin-4-one?
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dimethylimidazolidin-4-one has a molecular weight of 278.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dimethylimidazolidin-4-one is sourced from PubChem (CID 138720142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).