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

C16H14N2O4 — CID 171147748

IUPAC4-[(2,3-dimethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one
SMILESCOc1cccc(C=C2N=C(c3ccco3)NC2=O)c1OC
InChIInChI=1S/C16H14N2O4/c1-20-12-6-3-5-10(14(12)21-2)9-11-16(19)18-15(17-11)13-7-4-8-22-13/h3-9H,1-2H3,(H,17,18,19)
InChIKeyUBIDLYZXCSCCKW-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.21
Rot. Bonds4

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

4-[(2,3-dimethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one (PubChem CID 171147748) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-[(2,3-dimethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one.

Molecular Properties

Compound Name4-[(2,3-dimethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one
PubChem CID171147748
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name4-[(2,3-dimethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one
SMILESCOc1cccc(C=C2N=C(c3ccco3)NC2=O)c1OC
InChIInChI=1S/C16H14N2O4/c1-20-12-6-3-5-10(14(12)21-2)9-11-16(19)18-15(17-11)13-7-4-8-22-13/h3-9H,1-2H3,(H,17,18,19)
InChIKeyUBIDLYZXCSCCKW-UHFFFAOYSA-N
XLogP2.21
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4E)-2-(furan-2-yl)-4-[(2-methoxy-5-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136895408
(4Z)-4-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one
CID 136893883
(4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893739
(4E)-4-[(3-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one
CID 136894143
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517619
(4E)-2-(furan-2-yl)-4-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6488541
(4E)-2-(4-ethylphenyl)-4-[(2,3,4-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 135515997
(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136895369
(4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 797131
(4E)-2-(2,6-dimethoxyphenyl)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895374
(4E)-2-(2,6-dimethoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893798
(4E)-2-(2,6-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895912

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one?
The IUPAC name of 4-[(2,3-dimethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one (CID 171147748) is 4-[(2,3-dimethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one.
What is the SMILES notation for 4-[(2,3-dimethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one?
The canonical SMILES for 4-[(2,3-dimethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one is COc1cccc(C=C2N=C(c3ccco3)NC2=O)c1OC.
What is the InChIKey of 4-[(2,3-dimethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one?
The InChIKey is UBIDLYZXCSCCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-20-12-6-3-5-10(14(12)21-2)9-11-16(19)18-15(17-11)13-7-4-8-22-13/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 4-[(2,3-dimethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one?
4-[(2,3-dimethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one has a molecular weight of 298.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one is sourced from PubChem (CID 171147748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).