(4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one

C18H22N2O2 — CID 136895880

IUPAC(4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1ccc(C(C)C)cc1/C=C1\N=C(C2CCC2)NC1=O
InChIInChI=1S/C18H22N2O2/c1-11(2)13-7-8-16(22-3)14(9-13)10-15-18(21)20-17(19-15)12-5-4-6-12/h7-12H,4-6H2,1-3H3,(H,19,20,21)/b15-10-
InChIKeySWPFVBYLAWVHCQ-GDNBJRDFSA-N
MW298.39 g/mol
LogP3.49
Rot. Bonds4

About (4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one

(4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136895880) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136895880
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1ccc(C(C)C)cc1/C=C1\N=C(C2CCC2)NC1=O
InChIInChI=1S/C18H22N2O2/c1-11(2)13-7-8-16(22-3)14(9-13)10-15-18(21)20-17(19-15)12-5-4-6-12/h7-12H,4-6H2,1-3H3,(H,19,20,21)/b15-10-
InChIKeySWPFVBYLAWVHCQ-GDNBJRDFSA-N
XLogP3.49
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.49
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-cyclobutyl-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895826
(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
(4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
CID 136895842
(4E)-2-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894294
(4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-pyridin-2-yl-1H-imidazol-5-one
CID 136895839
(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
(4Z)-2-tert-butyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 108937681
(4Z)-2-cyclopentyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one
CID 136895663

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one (CID 136895880) is (4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one is COc1ccc(C(C)C)cc1/C=C1\N=C(C2CCC2)NC1=O.
What is the InChIKey of (4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is SWPFVBYLAWVHCQ-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-11(2)13-7-8-16(22-3)14(9-13)10-15-18(21)20-17(19-15)12-5-4-6-12/h7-12H,4-6H2,1-3H3,(H,19,20,21)/b15-10-.
What are the key properties of (4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one?
(4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 298.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136895880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).