2-(5-bromo-1-benzofuran-2-yl)-8-methoxyimidazo[1,2-a]pyridine

C16H11BrN2O2 — CID 115404774

IUPAC2-(5-bromo-1-benzofuran-2-yl)-8-methoxyimidazo[1,2-a]pyridine
SMILESCOc1cccn2cc(-c3cc4cc(Br)ccc4o3)nc12
InChIInChI=1S/C16H11BrN2O2/c1-20-14-3-2-6-19-9-12(18-16(14)19)15-8-10-7-11(17)4-5-13(10)21-15/h2-9H,1H3
InChIKeyMIBUDSNCFWFGFV-UHFFFAOYSA-N
MW343.18 g/mol
LogP4.52
Rot. Bonds2

About 2-(5-bromo-1-benzofuran-2-yl)-8-methoxyimidazo[1,2-a]pyridine

2-(5-bromo-1-benzofuran-2-yl)-8-methoxyimidazo[1,2-a]pyridine (PubChem CID 115404774) has the molecular formula C16H11BrN2O2 and a molecular weight of 343.18 g/mol. Its IUPAC name is 2-(5-bromo-1-benzofuran-2-yl)-8-methoxyimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(5-bromo-1-benzofuran-2-yl)-8-methoxyimidazo[1,2-a]pyridine
PubChem CID115404774
Molecular FormulaC16H11BrN2O2
Molecular Weight343.18 g/mol
Exact Mass342.00
IUPAC Name2-(5-bromo-1-benzofuran-2-yl)-8-methoxyimidazo[1,2-a]pyridine
SMILESCOc1cccn2cc(-c3cc4cc(Br)ccc4o3)nc12
InChIInChI=1S/C16H11BrN2O2/c1-20-14-3-2-6-19-9-12(18-16(14)19)15-8-10-7-11(17)4-5-13(10)21-15/h2-9H,1H3
InChIKeyMIBUDSNCFWFGFV-UHFFFAOYSA-N
XLogP4.52
TPSA39.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-benzofuran-2-yl)-8-methoxyimidazo[1,2-a]pyridine?
The IUPAC name of 2-(5-bromo-1-benzofuran-2-yl)-8-methoxyimidazo[1,2-a]pyridine (CID 115404774) is 2-(5-bromo-1-benzofuran-2-yl)-8-methoxyimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(5-bromo-1-benzofuran-2-yl)-8-methoxyimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(5-bromo-1-benzofuran-2-yl)-8-methoxyimidazo[1,2-a]pyridine is COc1cccn2cc(-c3cc4cc(Br)ccc4o3)nc12.
What is the InChIKey of 2-(5-bromo-1-benzofuran-2-yl)-8-methoxyimidazo[1,2-a]pyridine?
The InChIKey is MIBUDSNCFWFGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c1-20-14-3-2-6-19-9-12(18-16(14)19)15-8-10-7-11(17)4-5-13(10)21-15/h2-9H,1H3.
What are the key properties of 2-(5-bromo-1-benzofuran-2-yl)-8-methoxyimidazo[1,2-a]pyridine?
2-(5-bromo-1-benzofuran-2-yl)-8-methoxyimidazo[1,2-a]pyridine has a molecular weight of 343.18 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-benzofuran-2-yl)-8-methoxyimidazo[1,2-a]pyridine is sourced from PubChem (CID 115404774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).