6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine

C15H13BrN2O — CID 129053983

IUPAC6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(Cc2cnc3ccc(Br)cn23)cc1
InChIInChI=1S/C15H13BrN2O/c1-19-14-5-2-11(3-6-14)8-13-9-17-15-7-4-12(16)10-18(13)15/h2-7,9-10H,8H2,1H3
InChIKeyJUSGSSAXOXBJCW-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.70
Rot. Bonds3

About 6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine

6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine (PubChem CID 129053983) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine
PubChem CID129053983
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(Cc2cnc3ccc(Br)cn23)cc1
InChIInChI=1S/C15H13BrN2O/c1-19-14-5-2-11(3-6-14)8-13-9-17-15-7-4-12(16)10-18(13)15/h2-7,9-10H,8H2,1H3
InChIKeyJUSGSSAXOXBJCW-UHFFFAOYSA-N
XLogP3.70
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine (CID 129053983) is 6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine is COc1ccc(Cc2cnc3ccc(Br)cn23)cc1.
What is the InChIKey of 6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is JUSGSSAXOXBJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-19-14-5-2-11(3-6-14)8-13-9-17-15-7-4-12(16)10-18(13)15/h2-7,9-10H,8H2,1H3.
What are the key properties of 6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine?
6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 317.19 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 129053983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).