5-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine

C12H15BrN4 — CID 117255711

IUPAC5-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESBrc1cccc2nc(CN3CCNCC3)cn12
InChIInChI=1S/C12H15BrN4/c13-11-2-1-3-12-15-10(9-17(11)12)8-16-6-4-14-5-7-16/h1-3,9,14H,4-8H2
InChIKeyOBFPNEDKUBEKFZ-UHFFFAOYSA-N
MW295.18 g/mol
LogP1.50
Rot. Bonds2

About 5-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine

5-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 117255711) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID117255711
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name5-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESBrc1cccc2nc(CN3CCNCC3)cn12
InChIInChI=1S/C12H15BrN4/c13-11-2-1-3-12-15-10(9-17(11)12)8-16-6-4-14-5-7-16/h1-3,9,14H,4-8H2
InChIKeyOBFPNEDKUBEKFZ-UHFFFAOYSA-N
XLogP1.50
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 5-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine (CID 117255711) is 5-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 5-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine is Brc1cccc2nc(CN3CCNCC3)cn12.
What is the InChIKey of 5-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is OBFPNEDKUBEKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c13-11-2-1-3-12-15-10(9-17(11)12)8-16-6-4-14-5-7-16/h1-3,9,14H,4-8H2.
What are the key properties of 5-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
5-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 295.18 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 117255711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).