2-[1-(1-oxaspiro[4.4]nonan-3-yl)imidazol-2-yl]pyridine

C16H19N3O — CID 70717484

IUPAC2-[1-(1-oxaspiro[4.4]nonan-3-yl)imidazol-2-yl]pyridine
SMILESc1ccc(-c2nccn2C2COC3(CCCC3)C2)nc1
InChIInChI=1S/C16H19N3O/c1-4-8-17-14(5-1)15-18-9-10-19(15)13-11-16(20-12-13)6-2-3-7-16/h1,4-5,8-10,13H,2-3,6-7,11-12H2
InChIKeyYSJXOIXJKQOSPS-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.22
Rot. Bonds2

About 2-[1-(1-oxaspiro[4.4]nonan-3-yl)imidazol-2-yl]pyridine

2-[1-(1-oxaspiro[4.4]nonan-3-yl)imidazol-2-yl]pyridine (PubChem CID 70717484) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[1-(1-oxaspiro[4.4]nonan-3-yl)imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-(1-oxaspiro[4.4]nonan-3-yl)imidazol-2-yl]pyridine
PubChem CID70717484
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[1-(1-oxaspiro[4.4]nonan-3-yl)imidazol-2-yl]pyridine
SMILESc1ccc(-c2nccn2C2COC3(CCCC3)C2)nc1
InChIInChI=1S/C16H19N3O/c1-4-8-17-14(5-1)15-18-9-10-19(15)13-11-16(20-12-13)6-2-3-7-16/h1,4-5,8-10,13H,2-3,6-7,11-12H2
InChIKeyYSJXOIXJKQOSPS-UHFFFAOYSA-N
XLogP3.22
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-oxaspiro[4.4]nonan-3-yl)imidazol-2-yl]pyridine?
The IUPAC name of 2-[1-(1-oxaspiro[4.4]nonan-3-yl)imidazol-2-yl]pyridine (CID 70717484) is 2-[1-(1-oxaspiro[4.4]nonan-3-yl)imidazol-2-yl]pyridine.
What is the SMILES notation for 2-[1-(1-oxaspiro[4.4]nonan-3-yl)imidazol-2-yl]pyridine?
The canonical SMILES for 2-[1-(1-oxaspiro[4.4]nonan-3-yl)imidazol-2-yl]pyridine is c1ccc(-c2nccn2C2COC3(CCCC3)C2)nc1.
What is the InChIKey of 2-[1-(1-oxaspiro[4.4]nonan-3-yl)imidazol-2-yl]pyridine?
The InChIKey is YSJXOIXJKQOSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-4-8-17-14(5-1)15-18-9-10-19(15)13-11-16(20-12-13)6-2-3-7-16/h1,4-5,8-10,13H,2-3,6-7,11-12H2.
What are the key properties of 2-[1-(1-oxaspiro[4.4]nonan-3-yl)imidazol-2-yl]pyridine?
2-[1-(1-oxaspiro[4.4]nonan-3-yl)imidazol-2-yl]pyridine has a molecular weight of 269.35 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-oxaspiro[4.4]nonan-3-yl)imidazol-2-yl]pyridine is sourced from PubChem (CID 70717484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).