(4E)-4-[(4-tert-butylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one

C19H19N3O — CID 136894254

IUPAC(4E)-4-[(4-tert-butylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
SMILESCC(C)(C)c1ccc(/C=C2/N=C(c3ccncc3)NC2=O)cc1
InChIInChI=1S/C19H19N3O/c1-19(2,3)15-6-4-13(5-7-15)12-16-18(23)22-17(21-16)14-8-10-20-11-9-14/h4-12H,1-3H3,(H,21,22,23)/b16-12+
InChIKeyPXOATJSNIWSUIP-FOWTUZBSSA-N
MW305.38 g/mol
LogP3.30
Rot. Bonds2

About (4E)-4-[(4-tert-butylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one

(4E)-4-[(4-tert-butylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one (PubChem CID 136894254) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is (4E)-4-[(4-tert-butylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(4-tert-butylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
PubChem CID136894254
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name(4E)-4-[(4-tert-butylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
SMILESCC(C)(C)c1ccc(/C=C2/N=C(c3ccncc3)NC2=O)cc1
InChIInChI=1S/C19H19N3O/c1-19(2,3)15-6-4-13(5-7-15)12-16-18(23)22-17(21-16)14-8-10-20-11-9-14/h4-12H,1-3H3,(H,21,22,23)/b16-12+
InChIKeyPXOATJSNIWSUIP-FOWTUZBSSA-N
XLogP3.30
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.30
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-tert-butylphenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazol-5-one
CID 136894107
(4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
CID 136893246
2-(4-tert-butylphenyl)-4-(1H-pyrrol-2-ylmethylidene)-1H-imidazol-5-one
CID 163232697
(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136895677
2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one
CID 135500373
(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-pyridin-4-yl-1H-imidazol-5-one
CID 136894404
(4E)-4-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136895732
(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)-2-(2-methylphenyl)-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893303
(4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894824
(4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893629

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-tert-butylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one?
The IUPAC name of (4E)-4-[(4-tert-butylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one (CID 136894254) is (4E)-4-[(4-tert-butylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one.
What is the SMILES notation for (4E)-4-[(4-tert-butylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one?
The canonical SMILES for (4E)-4-[(4-tert-butylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one is CC(C)(C)c1ccc(/C=C2/N=C(c3ccncc3)NC2=O)cc1.
What is the InChIKey of (4E)-4-[(4-tert-butylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one?
The InChIKey is PXOATJSNIWSUIP-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H19N3O/c1-19(2,3)15-6-4-13(5-7-15)12-16-18(23)22-17(21-16)14-8-10-20-11-9-14/h4-12H,1-3H3,(H,21,22,23)/b16-12+.
What are the key properties of (4E)-4-[(4-tert-butylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one?
(4E)-4-[(4-tert-butylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one has a molecular weight of 305.38 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-tert-butylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one is sourced from PubChem (CID 136894254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).