4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one

C19H18N2O2 — CID 135485408

IUPAC4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
SMILESCCOc1ccc(C=C2N=C(c3ccc(C)cc3)NC2=O)cc1
InChIInChI=1S/C19H18N2O2/c1-3-23-16-10-6-14(7-11-16)12-17-19(22)21-18(20-17)15-8-4-13(2)5-9-15/h4-12H,3H2,1-2H3,(H,20,21,22)
InChIKeyNYEMFHRYEDKDJZ-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.31
Rot. Bonds4

About 4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one

4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one (PubChem CID 135485408) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
PubChem CID135485408
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
SMILESCCOc1ccc(C=C2N=C(c3ccc(C)cc3)NC2=O)cc1
InChIInChI=1S/C19H18N2O2/c1-3-23-16-10-6-14(7-11-16)12-17-19(22)21-18(20-17)15-8-4-13(2)5-9-15/h4-12H,3H2,1-2H3,(H,20,21,22)
InChIKeyNYEMFHRYEDKDJZ-UHFFFAOYSA-N
XLogP3.31
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4E)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136893529
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135443011
(4E)-4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 740848
2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one
CID 135500373
(4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517616
(4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 137309259
(4E)-4-[(3-ethoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136894136
2-(4-bromophenyl)-4-[[4-(diethylamino)phenyl]methylidene]-1H-imidazol-5-one
CID 135504837
(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517623
(4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893629
(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-1H-imidazol-5-one
CID 136895684
(4E)-4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1H-imidazol-5-one
CID 136895902

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
The IUPAC name of 4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one (CID 135485408) is 4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one.
What is the SMILES notation for 4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
The canonical SMILES for 4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one is CCOc1ccc(C=C2N=C(c3ccc(C)cc3)NC2=O)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
The InChIKey is NYEMFHRYEDKDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-3-23-16-10-6-14(7-11-16)12-17-19(22)21-18(20-17)15-8-4-13(2)5-9-15/h4-12H,3H2,1-2H3,(H,20,21,22).
What are the key properties of 4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one has a molecular weight of 306.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one is sourced from PubChem (CID 135485408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).