(4E)-2-(2,6-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one

C20H20N2O5 — CID 136895912

IUPAC(4E)-2-(2,6-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1cc(/C=C2/N=C(c3c(OC)cccc3OC)NC2=O)cc(OC)c1
InChIInChI=1S/C20H20N2O5/c1-24-13-8-12(9-14(11-13)25-2)10-15-20(23)22-19(21-15)18-16(26-3)6-5-7-17(18)27-4/h5-11H,1-4H3,(H,21,22,23)/b15-10+
InChIKeyPJQSCWLXSNUABP-XNTDXEJSSA-N
MW368.39 g/mol
LogP2.64
Rot. Bonds6

About (4E)-2-(2,6-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one

(4E)-2-(2,6-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136895912) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is (4E)-2-(2,6-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-(2,6-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136895912
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name(4E)-2-(2,6-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1cc(/C=C2/N=C(c3c(OC)cccc3OC)NC2=O)cc(OC)c1
InChIInChI=1S/C20H20N2O5/c1-24-13-8-12(9-14(11-13)25-2)10-15-20(23)22-19(21-15)18-16(26-3)6-5-7-17(18)27-4/h5-11H,1-4H3,(H,21,22,23)/b15-10+
InChIKeyPJQSCWLXSNUABP-XNTDXEJSSA-N
XLogP2.64
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4E)-2-(2,6-dimethoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893798
(4E)-2-(2,6-dimethoxyphenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
CID 136893263
(4E)-4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1H-imidazol-5-one
CID 136895902
(4E)-2-(2,6-dimethoxyphenyl)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895374
(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-(3,5-dimethoxyphenyl)-1H-imidazol-5-one
CID 136895166
(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136894308
(4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one
CID 136893365
(4Z)-2-(3,5-dimethoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894842
(4E)-4-[(3,5-dimethoxyphenyl)methylidene]-2-[(4-fluorophenyl)methyl]-1H-imidazol-5-one
CID 136895915
(4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893739
(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
CID 136895149
(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136895369

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(2,6-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4E)-2-(2,6-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one (CID 136895912) is (4E)-2-(2,6-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-(2,6-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-(2,6-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one is COc1cc(/C=C2/N=C(c3c(OC)cccc3OC)NC2=O)cc(OC)c1.
What is the InChIKey of (4E)-2-(2,6-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is PJQSCWLXSNUABP-XNTDXEJSSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-24-13-8-12(9-14(11-13)25-2)10-15-20(23)22-19(21-15)18-16(26-3)6-5-7-17(18)27-4/h5-11H,1-4H3,(H,21,22,23)/b15-10+.
What are the key properties of (4E)-2-(2,6-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one?
(4E)-2-(2,6-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 368.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(2,6-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136895912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).