(4E)-2-ethyl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one

C15H18N2O2 — CID 136895029

IUPAC(4E)-2-ethyl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCCC1=N/C(=C/c2ccc(OC(C)C)cc2)C(=O)N1
InChIInChI=1S/C15H18N2O2/c1-4-14-16-13(15(18)17-14)9-11-5-7-12(8-6-11)19-10(2)3/h5-10H,4H2,1-3H3,(H,16,17,18)/b13-9+
InChIKeyLKAMDOXOZXAICO-UKTHLTGXSA-N
MW258.32 g/mol
LogP2.75
Rot. Bonds4

About (4E)-2-ethyl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one

(4E)-2-ethyl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136895029) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (4E)-2-ethyl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-ethyl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136895029
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(4E)-2-ethyl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCCC1=N/C(=C/c2ccc(OC(C)C)cc2)C(=O)N1
InChIInChI=1S/C15H18N2O2/c1-4-14-16-13(15(18)17-14)9-11-5-7-12(8-6-11)19-10(2)3/h5-10H,4H2,1-3H3,(H,16,17,18)/b13-9+
InChIKeyLKAMDOXOZXAICO-UKTHLTGXSA-N
XLogP2.75
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.75
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-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895030
(4E)-2-ethyl-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136895193
5-[(4-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 883209
(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methoxyphenyl)ethyl]-1H-imidazol-5-one
CID 136894129
(3Z)-5-[4-(4-ethylphenoxy)phenyl]-3-[(4-propan-2-yloxyphenyl)methylidene]-1H-pyrrol-2-one
CID 141253575
(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(2-phenoxyethyl)-1H-imidazol-5-one
CID 136894131
4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135485408
4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 137221885
(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136893825
(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
(5E)-1-(4-ethylphenyl)-5-[(4-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6069083

Frequently Asked Questions

What is the IUPAC name of (4E)-2-ethyl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4E)-2-ethyl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one (CID 136895029) is (4E)-2-ethyl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-ethyl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-ethyl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one is CCC1=N/C(=C/c2ccc(OC(C)C)cc2)C(=O)N1.
What is the InChIKey of (4E)-2-ethyl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is LKAMDOXOZXAICO-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-14-16-13(15(18)17-14)9-11-5-7-12(8-6-11)19-10(2)3/h5-10H,4H2,1-3H3,(H,16,17,18)/b13-9+.
What are the key properties of (4E)-2-ethyl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one?
(4E)-2-ethyl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 258.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-ethyl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136895029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).