(4E)-2-cyclobutyl-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one

C17H20N2O2 — CID 136895826

IUPAC(4E)-2-cyclobutyl-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCCc1ccc(OC)c(/C=C2/N=C(C3CCC3)NC2=O)c1
InChIInChI=1S/C17H20N2O2/c1-3-11-7-8-15(21-2)13(9-11)10-14-17(20)19-16(18-14)12-5-4-6-12/h7-10,12H,3-6H2,1-2H3,(H,18,19,20)/b14-10+
InChIKeyFGYIJYMQIGMLST-GXDHUFHOSA-N
MW284.36 g/mol
LogP2.93
Rot. Bonds4

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

(4E)-2-cyclobutyl-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136895826) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (4E)-2-cyclobutyl-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-cyclobutyl-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136895826
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(4E)-2-cyclobutyl-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCCc1ccc(OC)c(/C=C2/N=C(C3CCC3)NC2=O)c1
InChIInChI=1S/C17H20N2O2/c1-3-11-7-8-15(21-2)13(9-11)10-14-17(20)19-16(18-14)12-5-4-6-12/h7-10,12H,3-6H2,1-2H3,(H,18,19,20)/b14-10+
InChIKeyFGYIJYMQIGMLST-GXDHUFHOSA-N
XLogP2.93
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.93
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

(4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
CID 136895880
(4E)-2-cyclopentyl-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893767
(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(oxan-4-yl)-1H-imidazol-5-one
CID 136894498
(4E)-2-cyclobutyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894594
(4E)-2-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894294
(4E)-2-(2-chlorophenyl)-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895794
(4Z)-2-cyclobutyl-4-[(2,4-dichlorophenyl)methylidene]-1H-imidazol-5-one
CID 136895292
(4Z)-4-[(2-chlorophenyl)methylidene]-2-cyclobutyl-1H-imidazol-5-one
CID 136893922
(4Z)-2-cyclobutyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one
CID 136895662
(4E)-2-[(4-chlorophenyl)methyl]-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108937658
(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-[(4-fluorophenyl)methyl]-1H-imidazol-5-one
CID 136894476
(4E)-2-(4-ethylphenyl)-4-[(2,3,4-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 135515997

Frequently Asked Questions

What is the IUPAC name of (4E)-2-cyclobutyl-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4E)-2-cyclobutyl-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one (CID 136895826) is (4E)-2-cyclobutyl-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-cyclobutyl-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-cyclobutyl-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one is CCc1ccc(OC)c(/C=C2/N=C(C3CCC3)NC2=O)c1.
What is the InChIKey of (4E)-2-cyclobutyl-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is FGYIJYMQIGMLST-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-11-7-8-15(21-2)13(9-11)10-14-17(20)19-16(18-14)12-5-4-6-12/h7-10,12H,3-6H2,1-2H3,(H,18,19,20)/b14-10+.
What are the key properties of (4E)-2-cyclobutyl-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one?
(4E)-2-cyclobutyl-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 284.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-cyclobutyl-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136895826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).