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

C19H19N3O2 — CID 136895839

IUPAC(4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-pyridin-2-yl-1H-imidazol-5-one
SMILESCOc1ccc(C(C)C)cc1/C=C1\N=C(c2ccccn2)NC1=O
InChIInChI=1S/C19H19N3O2/c1-12(2)13-7-8-17(24-3)14(10-13)11-16-19(23)22-18(21-16)15-6-4-5-9-20-15/h4-12H,1-3H3,(H,21,22,23)/b16-11-
InChIKeyDMQBAKAQHYCWFE-WJDWOHSUSA-N
MW321.38 g/mol
LogP3.13
Rot. Bonds4

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

(4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-pyridin-2-yl-1H-imidazol-5-one (PubChem CID 136895839) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-pyridin-2-yl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-pyridin-2-yl-1H-imidazol-5-one
PubChem CID136895839
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-pyridin-2-yl-1H-imidazol-5-one
SMILESCOc1ccc(C(C)C)cc1/C=C1\N=C(c2ccccn2)NC1=O
InChIInChI=1S/C19H19N3O2/c1-12(2)13-7-8-17(24-3)14(10-13)11-16-19(23)22-18(21-16)15-6-4-5-9-20-15/h4-12H,1-3H3,(H,21,22,23)/b16-11-
InChIKeyDMQBAKAQHYCWFE-WJDWOHSUSA-N
XLogP3.13
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
CID 136895842
(4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
CID 136895880
(4E)-2-(2,6-dimethoxyphenyl)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895374
(4Z)-2-tert-butyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 108937681
(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136895357
(4E)-2-(2-chlorophenyl)-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895794
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517619
(4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894824
(4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893739
(4E)-2-(3,4-dimethoxyphenyl)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895373
(4E)-4-[(2-methoxy-5-methylphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136895424
(4E)-2-(furan-2-yl)-4-[(2-methoxy-5-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136895408

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-pyridin-2-yl-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-pyridin-2-yl-1H-imidazol-5-one (CID 136895839) is (4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-pyridin-2-yl-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-pyridin-2-yl-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-pyridin-2-yl-1H-imidazol-5-one is COc1ccc(C(C)C)cc1/C=C1\N=C(c2ccccn2)NC1=O.
What is the InChIKey of (4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-pyridin-2-yl-1H-imidazol-5-one?
The InChIKey is DMQBAKAQHYCWFE-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12(2)13-7-8-17(24-3)14(10-13)11-16-19(23)22-18(21-16)15-6-4-5-9-20-15/h4-12H,1-3H3,(H,21,22,23)/b16-11-.
What are the key properties of (4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-pyridin-2-yl-1H-imidazol-5-one?
(4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-pyridin-2-yl-1H-imidazol-5-one has a molecular weight of 321.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-pyridin-2-yl-1H-imidazol-5-one is sourced from PubChem (CID 136895839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).