3-benzyl-6-bromo-2-propylimidazo[1,2-a]pyridine

C17H17BrN2 — CID 51360055

IUPAC3-benzyl-6-bromo-2-propylimidazo[1,2-a]pyridine
SMILESCCCc1nc2ccc(Br)cn2c1Cc1ccccc1
InChIInChI=1S/C17H17BrN2/c1-2-6-15-16(11-13-7-4-3-5-8-13)20-12-14(18)9-10-17(20)19-15/h3-5,7-10,12H,2,6,11H2,1H3
InChIKeyXFIHYZSBKWYLOA-UHFFFAOYSA-N
MW329.24 g/mol
LogP4.64
Rot. Bonds4

About 3-benzyl-6-bromo-2-propylimidazo[1,2-a]pyridine

3-benzyl-6-bromo-2-propylimidazo[1,2-a]pyridine (PubChem CID 51360055) has the molecular formula C17H17BrN2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 3-benzyl-6-bromo-2-propylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-benzyl-6-bromo-2-propylimidazo[1,2-a]pyridine
PubChem CID51360055
Molecular FormulaC17H17BrN2
Molecular Weight329.24 g/mol
Exact Mass328.06
IUPAC Name3-benzyl-6-bromo-2-propylimidazo[1,2-a]pyridine
SMILESCCCc1nc2ccc(Br)cn2c1Cc1ccccc1
InChIInChI=1S/C17H17BrN2/c1-2-6-15-16(11-13-7-4-3-5-8-13)20-12-14(18)9-10-17(20)19-15/h3-5,7-10,12H,2,6,11H2,1H3
InChIKeyXFIHYZSBKWYLOA-UHFFFAOYSA-N
XLogP4.64
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-bromo-2-propylimidazo[1,2-a]pyridine?
The IUPAC name of 3-benzyl-6-bromo-2-propylimidazo[1,2-a]pyridine (CID 51360055) is 3-benzyl-6-bromo-2-propylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-benzyl-6-bromo-2-propylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-benzyl-6-bromo-2-propylimidazo[1,2-a]pyridine is CCCc1nc2ccc(Br)cn2c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-bromo-2-propylimidazo[1,2-a]pyridine?
The InChIKey is XFIHYZSBKWYLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2/c1-2-6-15-16(11-13-7-4-3-5-8-13)20-12-14(18)9-10-17(20)19-15/h3-5,7-10,12H,2,6,11H2,1H3.
What are the key properties of 3-benzyl-6-bromo-2-propylimidazo[1,2-a]pyridine?
3-benzyl-6-bromo-2-propylimidazo[1,2-a]pyridine has a molecular weight of 329.24 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-bromo-2-propylimidazo[1,2-a]pyridine is sourced from PubChem (CID 51360055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).