2-(2-cyclopenta-2,4-dien-1-yl-4-pyridin-2-yl-1H-imidazol-5-yl)pyridine

C18H14N4 — CID 139166901

IUPAC2-(2-cyclopenta-2,4-dien-1-yl-4-pyridin-2-yl-1H-imidazol-5-yl)pyridine
SMILESC1=CC(c2nc(-c3ccccn3)c(-c3ccccn3)[nH]2)C=C1
InChIInChI=1S/C18H14N4/c1-2-8-13(7-1)18-21-16(14-9-3-5-11-19-14)17(22-18)15-10-4-6-12-20-15/h1-13H,(H,21,22)
InChIKeyONNDKGTYIUDQRU-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.74
Rot. Bonds3

About 2-(2-cyclopenta-2,4-dien-1-yl-4-pyridin-2-yl-1H-imidazol-5-yl)pyridine

2-(2-cyclopenta-2,4-dien-1-yl-4-pyridin-2-yl-1H-imidazol-5-yl)pyridine (PubChem CID 139166901) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(2-cyclopenta-2,4-dien-1-yl-4-pyridin-2-yl-1H-imidazol-5-yl)pyridine.

Molecular Properties

Compound Name2-(2-cyclopenta-2,4-dien-1-yl-4-pyridin-2-yl-1H-imidazol-5-yl)pyridine
PubChem CID139166901
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name2-(2-cyclopenta-2,4-dien-1-yl-4-pyridin-2-yl-1H-imidazol-5-yl)pyridine
SMILESC1=CC(c2nc(-c3ccccn3)c(-c3ccccn3)[nH]2)C=C1
InChIInChI=1S/C18H14N4/c1-2-8-13(7-1)18-21-16(14-9-3-5-11-19-14)17(22-18)15-10-4-6-12-20-15/h1-13H,(H,21,22)
InChIKeyONNDKGTYIUDQRU-UHFFFAOYSA-N
XLogP3.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopenta-2,4-dien-1-yl-4-pyridin-2-yl-1H-imidazol-5-yl)pyridine?
The IUPAC name of 2-(2-cyclopenta-2,4-dien-1-yl-4-pyridin-2-yl-1H-imidazol-5-yl)pyridine (CID 139166901) is 2-(2-cyclopenta-2,4-dien-1-yl-4-pyridin-2-yl-1H-imidazol-5-yl)pyridine.
What is the SMILES notation for 2-(2-cyclopenta-2,4-dien-1-yl-4-pyridin-2-yl-1H-imidazol-5-yl)pyridine?
The canonical SMILES for 2-(2-cyclopenta-2,4-dien-1-yl-4-pyridin-2-yl-1H-imidazol-5-yl)pyridine is C1=CC(c2nc(-c3ccccn3)c(-c3ccccn3)[nH]2)C=C1.
What is the InChIKey of 2-(2-cyclopenta-2,4-dien-1-yl-4-pyridin-2-yl-1H-imidazol-5-yl)pyridine?
The InChIKey is ONNDKGTYIUDQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-2-8-13(7-1)18-21-16(14-9-3-5-11-19-14)17(22-18)15-10-4-6-12-20-15/h1-13H,(H,21,22).
What are the key properties of 2-(2-cyclopenta-2,4-dien-1-yl-4-pyridin-2-yl-1H-imidazol-5-yl)pyridine?
2-(2-cyclopenta-2,4-dien-1-yl-4-pyridin-2-yl-1H-imidazol-5-yl)pyridine has a molecular weight of 286.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopenta-2,4-dien-1-yl-4-pyridin-2-yl-1H-imidazol-5-yl)pyridine is sourced from PubChem (CID 139166901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).