6-bromo-2-[(4-tert-butylphenoxy)methyl]-1H-imidazo[4,5-b]pyridine

C17H18BrN3O — CID 23857021

IUPAC6-bromo-2-[(4-tert-butylphenoxy)methyl]-1H-imidazo[4,5-b]pyridine
SMILESCC(C)(C)c1ccc(OCc2nc3ncc(Br)cc3[nH]2)cc1
InChIInChI=1S/C17H18BrN3O/c1-17(2,3)11-4-6-13(7-5-11)22-10-15-20-14-8-12(18)9-19-16(14)21-15/h4-9H,10H2,1-3H3,(H,19,20,21)
InChIKeyKTYDRLNXYLZUKQ-UHFFFAOYSA-N
MW360.26 g/mol
LogP4.60
Rot. Bonds3

About 6-bromo-2-[(4-tert-butylphenoxy)methyl]-1H-imidazo[4,5-b]pyridine

6-bromo-2-[(4-tert-butylphenoxy)methyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 23857021) has the molecular formula C17H18BrN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is 6-bromo-2-[(4-tert-butylphenoxy)methyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-[(4-tert-butylphenoxy)methyl]-1H-imidazo[4,5-b]pyridine
PubChem CID23857021
Molecular FormulaC17H18BrN3O
Molecular Weight360.26 g/mol
Exact Mass359.06
IUPAC Name6-bromo-2-[(4-tert-butylphenoxy)methyl]-1H-imidazo[4,5-b]pyridine
SMILESCC(C)(C)c1ccc(OCc2nc3ncc(Br)cc3[nH]2)cc1
InChIInChI=1S/C17H18BrN3O/c1-17(2,3)11-4-6-13(7-5-11)22-10-15-20-14-8-12(18)9-19-16(14)21-15/h4-9H,10H2,1-3H3,(H,19,20,21)
InChIKeyKTYDRLNXYLZUKQ-UHFFFAOYSA-N
XLogP4.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(4-tert-butylphenoxy)methyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-[(4-tert-butylphenoxy)methyl]-1H-imidazo[4,5-b]pyridine (CID 23857021) is 6-bromo-2-[(4-tert-butylphenoxy)methyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-[(4-tert-butylphenoxy)methyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-[(4-tert-butylphenoxy)methyl]-1H-imidazo[4,5-b]pyridine is CC(C)(C)c1ccc(OCc2nc3ncc(Br)cc3[nH]2)cc1.
What is the InChIKey of 6-bromo-2-[(4-tert-butylphenoxy)methyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is KTYDRLNXYLZUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O/c1-17(2,3)11-4-6-13(7-5-11)22-10-15-20-14-8-12(18)9-19-16(14)21-15/h4-9H,10H2,1-3H3,(H,19,20,21).
What are the key properties of 6-bromo-2-[(4-tert-butylphenoxy)methyl]-1H-imidazo[4,5-b]pyridine?
6-bromo-2-[(4-tert-butylphenoxy)methyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 360.26 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(4-tert-butylphenoxy)methyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 23857021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).