1-bromo-8-methyl-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine

C16H15BrN2O — CID 84744964

IUPAC1-bromo-8-methyl-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine
SMILESCc1ccc(OCc2nc(Br)c3c(C)cccn23)cc1
InChIInChI=1S/C16H15BrN2O/c1-11-5-7-13(8-6-11)20-10-14-18-16(17)15-12(2)4-3-9-19(14)15/h3-9H,10H2,1-2H3
InChIKeyWOGGIIXDFCBOMZ-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.29
Rot. Bonds3

About 1-bromo-8-methyl-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine

1-bromo-8-methyl-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine (PubChem CID 84744964) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 1-bromo-8-methyl-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-8-methyl-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine
PubChem CID84744964
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name1-bromo-8-methyl-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine
SMILESCc1ccc(OCc2nc(Br)c3c(C)cccn23)cc1
InChIInChI=1S/C16H15BrN2O/c1-11-5-7-13(8-6-11)20-10-14-18-16(17)15-12(2)4-3-9-19(14)15/h3-9H,10H2,1-2H3
InChIKeyWOGGIIXDFCBOMZ-UHFFFAOYSA-N
XLogP4.29
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-methyl-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-8-methyl-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine (CID 84744964) is 1-bromo-8-methyl-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-8-methyl-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-8-methyl-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine is Cc1ccc(OCc2nc(Br)c3c(C)cccn23)cc1.
What is the InChIKey of 1-bromo-8-methyl-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine?
The InChIKey is WOGGIIXDFCBOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-11-5-7-13(8-6-11)20-10-14-18-16(17)15-12(2)4-3-9-19(14)15/h3-9H,10H2,1-2H3.
What are the key properties of 1-bromo-8-methyl-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine?
1-bromo-8-methyl-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine has a molecular weight of 331.21 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-methyl-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 84744964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).