2-butyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)hexan-1-one

C17H28N2O — CID 154612477

IUPAC2-butyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)hexan-1-one
SMILESCCCCC(CCCC)C(=O)c1cnc2n1CCCC2
InChIInChI=1S/C17H28N2O/c1-3-5-9-14(10-6-4-2)17(20)15-13-18-16-11-7-8-12-19(15)16/h13-14H,3-12H2,1-2H3
InChIKeyAHJSRDZDOQXSTC-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.40
Rot. Bonds8

About 2-butyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)hexan-1-one

2-butyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)hexan-1-one (PubChem CID 154612477) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-butyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)hexan-1-one.

Molecular Properties

Compound Name2-butyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)hexan-1-one
PubChem CID154612477
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-butyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)hexan-1-one
SMILESCCCCC(CCCC)C(=O)c1cnc2n1CCCC2
InChIInChI=1S/C17H28N2O/c1-3-5-9-14(10-6-4-2)17(20)15-13-18-16-11-7-8-12-19(15)16/h13-14H,3-12H2,1-2H3
InChIKeyAHJSRDZDOQXSTC-UHFFFAOYSA-N
XLogP4.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)hexan-1-one?
The IUPAC name of 2-butyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)hexan-1-one (CID 154612477) is 2-butyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)hexan-1-one.
What is the SMILES notation for 2-butyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)hexan-1-one?
The canonical SMILES for 2-butyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)hexan-1-one is CCCCC(CCCC)C(=O)c1cnc2n1CCCC2.
What is the InChIKey of 2-butyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)hexan-1-one?
The InChIKey is AHJSRDZDOQXSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-5-9-14(10-6-4-2)17(20)15-13-18-16-11-7-8-12-19(15)16/h13-14H,3-12H2,1-2H3.
What are the key properties of 2-butyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)hexan-1-one?
2-butyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)hexan-1-one has a molecular weight of 276.42 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)hexan-1-one is sourced from PubChem (CID 154612477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).