2-(1-imidazol-1-ylethyl)-5-penta-2,4-dien-2-ylpyridine

C15H17N3 — CID 123395836

IUPAC2-(1-imidazol-1-ylethyl)-5-penta-2,4-dien-2-ylpyridine
SMILESC=CC=C(C)c1ccc(C(C)n2ccnc2)nc1
InChIInChI=1S/C15H17N3/c1-4-5-12(2)14-6-7-15(17-10-14)13(3)18-9-8-16-11-18/h4-11,13H,1H2,2-3H3
InChIKeyVSINKAJLWYDBON-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.48
Rot. Bonds4

About 2-(1-imidazol-1-ylethyl)-5-penta-2,4-dien-2-ylpyridine

2-(1-imidazol-1-ylethyl)-5-penta-2,4-dien-2-ylpyridine (PubChem CID 123395836) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(1-imidazol-1-ylethyl)-5-penta-2,4-dien-2-ylpyridine.

Molecular Properties

Compound Name2-(1-imidazol-1-ylethyl)-5-penta-2,4-dien-2-ylpyridine
PubChem CID123395836
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-(1-imidazol-1-ylethyl)-5-penta-2,4-dien-2-ylpyridine
SMILESC=CC=C(C)c1ccc(C(C)n2ccnc2)nc1
InChIInChI=1S/C15H17N3/c1-4-5-12(2)14-6-7-15(17-10-14)13(3)18-9-8-16-11-18/h4-11,13H,1H2,2-3H3
InChIKeyVSINKAJLWYDBON-UHFFFAOYSA-N
XLogP3.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-imidazol-1-ylethyl)-5-penta-2,4-dien-2-ylpyridine?
The IUPAC name of 2-(1-imidazol-1-ylethyl)-5-penta-2,4-dien-2-ylpyridine (CID 123395836) is 2-(1-imidazol-1-ylethyl)-5-penta-2,4-dien-2-ylpyridine.
What is the SMILES notation for 2-(1-imidazol-1-ylethyl)-5-penta-2,4-dien-2-ylpyridine?
The canonical SMILES for 2-(1-imidazol-1-ylethyl)-5-penta-2,4-dien-2-ylpyridine is C=CC=C(C)c1ccc(C(C)n2ccnc2)nc1.
What is the InChIKey of 2-(1-imidazol-1-ylethyl)-5-penta-2,4-dien-2-ylpyridine?
The InChIKey is VSINKAJLWYDBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-4-5-12(2)14-6-7-15(17-10-14)13(3)18-9-8-16-11-18/h4-11,13H,1H2,2-3H3.
What are the key properties of 2-(1-imidazol-1-ylethyl)-5-penta-2,4-dien-2-ylpyridine?
2-(1-imidazol-1-ylethyl)-5-penta-2,4-dien-2-ylpyridine has a molecular weight of 239.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-imidazol-1-ylethyl)-5-penta-2,4-dien-2-ylpyridine is sourced from PubChem (CID 123395836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).