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

C16H14N2O3 — CID 136895408

IUPAC(4E)-2-(furan-2-yl)-4-[(2-methoxy-5-methylphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1ccc(C)cc1/C=C1/N=C(c2ccco2)NC1=O
InChIInChI=1S/C16H14N2O3/c1-10-5-6-13(20-2)11(8-10)9-12-16(19)18-15(17-12)14-4-3-7-21-14/h3-9H,1-2H3,(H,17,18,19)/b12-9+
InChIKeyJBUSEZOVWGLQHK-FMIVXFBMSA-N
MW282.30 g/mol
LogP2.51
Rot. Bonds3

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

(4E)-2-(furan-2-yl)-4-[(2-methoxy-5-methylphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136895408) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is (4E)-2-(furan-2-yl)-4-[(2-methoxy-5-methylphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-(furan-2-yl)-4-[(2-methoxy-5-methylphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136895408
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name(4E)-2-(furan-2-yl)-4-[(2-methoxy-5-methylphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1ccc(C)cc1/C=C1/N=C(c2ccco2)NC1=O
InChIInChI=1S/C16H14N2O3/c1-10-5-6-13(20-2)11(8-10)9-12-16(19)18-15(17-12)14-4-3-7-21-14/h3-9H,1-2H3,(H,17,18,19)/b12-9+
InChIKeyJBUSEZOVWGLQHK-FMIVXFBMSA-N
XLogP2.51
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.51
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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Related Compounds

(4E)-4-[(2-methoxy-5-methylphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136895424
4-[(2,3-dimethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one
CID 171147748
(4Z)-4-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one
CID 136893883
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517619
(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136895369
(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517623
(4E)-2-(2,6-dimethoxyphenyl)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895374
(4E)-4-[(3-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one
CID 136894143
(4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one
CID 136895492
(4Z)-2-(3,5-dimethoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894842
(4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
CID 136895842
(4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893739

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(furan-2-yl)-4-[(2-methoxy-5-methylphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4E)-2-(furan-2-yl)-4-[(2-methoxy-5-methylphenyl)methylidene]-1H-imidazol-5-one (CID 136895408) is (4E)-2-(furan-2-yl)-4-[(2-methoxy-5-methylphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-(furan-2-yl)-4-[(2-methoxy-5-methylphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-(furan-2-yl)-4-[(2-methoxy-5-methylphenyl)methylidene]-1H-imidazol-5-one is COc1ccc(C)cc1/C=C1/N=C(c2ccco2)NC1=O.
What is the InChIKey of (4E)-2-(furan-2-yl)-4-[(2-methoxy-5-methylphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is JBUSEZOVWGLQHK-FMIVXFBMSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10-5-6-13(20-2)11(8-10)9-12-16(19)18-15(17-12)14-4-3-7-21-14/h3-9H,1-2H3,(H,17,18,19)/b12-9+.
What are the key properties of (4E)-2-(furan-2-yl)-4-[(2-methoxy-5-methylphenyl)methylidene]-1H-imidazol-5-one?
(4E)-2-(furan-2-yl)-4-[(2-methoxy-5-methylphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 282.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(furan-2-yl)-4-[(2-methoxy-5-methylphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136895408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).