(4E)-4-[(3-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one

C16H14N2O3 — CID 136894143

IUPAC(4E)-4-[(3-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one
SMILESCCOc1cccc(/C=C2/N=C(c3ccco3)NC2=O)c1
InChIInChI=1S/C16H14N2O3/c1-2-20-12-6-3-5-11(9-12)10-13-16(19)18-15(17-13)14-7-4-8-21-14/h3-10H,2H2,1H3,(H,17,18,19)/b13-10+
InChIKeyDBEPXWUTYFLCSL-JLHYYAGUSA-N
MW282.30 g/mol
LogP2.60
Rot. Bonds4

About (4E)-4-[(3-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one

(4E)-4-[(3-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one (PubChem CID 136894143) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is (4E)-4-[(3-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(3-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one
PubChem CID136894143
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name(4E)-4-[(3-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one
SMILESCCOc1cccc(/C=C2/N=C(c3ccco3)NC2=O)c1
InChIInChI=1S/C16H14N2O3/c1-2-20-12-6-3-5-11(9-12)10-13-16(19)18-15(17-13)14-7-4-8-21-14/h3-10H,2H2,1H3,(H,17,18,19)/b13-10+
InChIKeyDBEPXWUTYFLCSL-JLHYYAGUSA-N
XLogP2.60
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (4E)-4-[(3-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one?
The IUPAC name of (4E)-4-[(3-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one (CID 136894143) is (4E)-4-[(3-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one.
What is the SMILES notation for (4E)-4-[(3-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one?
The canonical SMILES for (4E)-4-[(3-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one is CCOc1cccc(/C=C2/N=C(c3ccco3)NC2=O)c1.
What is the InChIKey of (4E)-4-[(3-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one?
The InChIKey is DBEPXWUTYFLCSL-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-2-20-12-6-3-5-11(9-12)10-13-16(19)18-15(17-13)14-7-4-8-21-14/h3-10H,2H2,1H3,(H,17,18,19)/b13-10+.
What are the key properties of (4E)-4-[(3-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one?
(4E)-4-[(3-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one has a molecular weight of 282.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(3-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one is sourced from PubChem (CID 136894143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).