2-(4-bromocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine

C13H23BrN2 — CID 130242048

IUPAC2-(4-bromocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
SMILESBrC1CCC(C2CN3CCCCC3N2)CC1
InChIInChI=1S/C13H23BrN2/c14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12/h10-13,15H,1-9H2
InChIKeyWWWHKWQXYICVRW-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.72
Rot. Bonds1

About 2-(4-bromocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine

2-(4-bromocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine (PubChem CID 130242048) has the molecular formula C13H23BrN2 and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-(4-bromocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-bromocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
PubChem CID130242048
Molecular FormulaC13H23BrN2
Molecular Weight287.25 g/mol
Exact Mass286.10
IUPAC Name2-(4-bromocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
SMILESBrC1CCC(C2CN3CCCCC3N2)CC1
InChIInChI=1S/C13H23BrN2/c14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12/h10-13,15H,1-9H2
InChIKeyWWWHKWQXYICVRW-UHFFFAOYSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-bromocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine (CID 130242048) is 2-(4-bromocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-bromocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-bromocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine is BrC1CCC(C2CN3CCCCC3N2)CC1.
What is the InChIKey of 2-(4-bromocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
The InChIKey is WWWHKWQXYICVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN2/c14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12/h10-13,15H,1-9H2.
What are the key properties of 2-(4-bromocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
2-(4-bromocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine has a molecular weight of 287.25 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 130242048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).