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

C19H18N2O4 — CID 135448406

IUPAC(4E)-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1cc(/C=C2/N=C(c3ccccc3)NC2=O)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4/c1-23-15-10-12(11-16(24-2)17(15)25-3)9-14-19(22)21-18(20-14)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,20,21,22)/b14-9+
InChIKeyLTTJEXXLGBJQTJ-NTEUORMPSA-N
MW338.36 g/mol
LogP2.63
Rot. Bonds5

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

(4E)-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 135448406) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (4E)-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID135448406
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(4E)-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1cc(/C=C2/N=C(c3ccccc3)NC2=O)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4/c1-23-15-10-12(11-16(24-2)17(15)25-3)9-14-19(22)21-18(20-14)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,20,21,22)/b14-9+
InChIKeyLTTJEXXLGBJQTJ-NTEUORMPSA-N
XLogP2.63
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.63
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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Frequently Asked Questions

What is the IUPAC name of (4E)-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4E)-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one (CID 135448406) is (4E)-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one is COc1cc(/C=C2/N=C(c3ccccc3)NC2=O)cc(OC)c1OC.
What is the InChIKey of (4E)-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is LTTJEXXLGBJQTJ-NTEUORMPSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-15-10-12(11-16(24-2)17(15)25-3)9-14-19(22)21-18(20-14)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,20,21,22)/b14-9+.
What are the key properties of (4E)-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one?
(4E)-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 338.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 135448406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).