(4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one

C14H10N4O — CID 136893246

IUPAC(4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(c2ccncc2)=N/C1=C/c1cccnc1
InChIInChI=1S/C14H10N4O/c19-14-12(8-10-2-1-5-16-9-10)17-13(18-14)11-3-6-15-7-4-11/h1-9H,(H,17,18,19)/b12-8+
InChIKeyHCTPWIYOQLNHQV-XYOKQWHBSA-N
MW250.26 g/mol
LogP1.39
Rot. Bonds2

About (4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one

(4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one (PubChem CID 136893246) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is (4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
PubChem CID136893246
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name(4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(c2ccncc2)=N/C1=C/c1cccnc1
InChIInChI=1S/C14H10N4O/c19-14-12(8-10-2-1-5-16-9-10)17-13(18-14)11-3-6-15-7-4-11/h1-9H,(H,17,18,19)/b12-8+
InChIKeyHCTPWIYOQLNHQV-XYOKQWHBSA-N
XLogP1.39
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.39
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

(4E)-2-(4-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
CID 136893256
(4E)-4-[(4-tert-butylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136894254
(4E)-2-(2,6-dimethoxyphenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
CID 136893263
(4E)-2-pyridin-3-yl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one
CID 136893190
(4E)-2-pyridin-3-yl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894561
(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-pyridin-4-yl-1H-imidazol-5-one
CID 136894404
(4Z)-4-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-1H-imidazol-5-one
CID 136893570
(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-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136895732
(4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894824
(4E)-2-(2-chlorophenyl)-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893309

Frequently Asked Questions

What is the IUPAC name of (4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one?
The IUPAC name of (4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one (CID 136893246) is (4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one is O=C1NC(c2ccncc2)=N/C1=C/c1cccnc1.
What is the InChIKey of (4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one?
The InChIKey is HCTPWIYOQLNHQV-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H10N4O/c19-14-12(8-10-2-1-5-16-9-10)17-13(18-14)11-3-6-15-7-4-11/h1-9H,(H,17,18,19)/b12-8+.
What are the key properties of (4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one?
(4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one has a molecular weight of 250.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one is sourced from PubChem (CID 136893246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).