1-bromo-3-(2,3,5,6-tetramethylphenyl)imidazo[1,5-a]pyridine

C17H17BrN2 — CID 116836587

IUPAC1-bromo-3-(2,3,5,6-tetramethylphenyl)imidazo[1,5-a]pyridine
SMILESCc1cc(C)c(C)c(-c2nc(Br)c3ccccn23)c1C
InChIInChI=1S/C17H17BrN2/c1-10-9-11(2)13(4)15(12(10)3)17-19-16(18)14-7-5-6-8-20(14)17/h5-9H,1-4H3
InChIKeyWUUNIUYUKVKLKO-UHFFFAOYSA-N
MW329.24 g/mol
LogP5.00
Rot. Bonds1

About 1-bromo-3-(2,3,5,6-tetramethylphenyl)imidazo[1,5-a]pyridine

1-bromo-3-(2,3,5,6-tetramethylphenyl)imidazo[1,5-a]pyridine (PubChem CID 116836587) has the molecular formula C17H17BrN2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 1-bromo-3-(2,3,5,6-tetramethylphenyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-3-(2,3,5,6-tetramethylphenyl)imidazo[1,5-a]pyridine
PubChem CID116836587
Molecular FormulaC17H17BrN2
Molecular Weight329.24 g/mol
Exact Mass328.06
IUPAC Name1-bromo-3-(2,3,5,6-tetramethylphenyl)imidazo[1,5-a]pyridine
SMILESCc1cc(C)c(C)c(-c2nc(Br)c3ccccn23)c1C
InChIInChI=1S/C17H17BrN2/c1-10-9-11(2)13(4)15(12(10)3)17-19-16(18)14-7-5-6-8-20(14)17/h5-9H,1-4H3
InChIKeyWUUNIUYUKVKLKO-UHFFFAOYSA-N
XLogP5.00
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2,3,5,6-tetramethylphenyl)imidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-3-(2,3,5,6-tetramethylphenyl)imidazo[1,5-a]pyridine (CID 116836587) is 1-bromo-3-(2,3,5,6-tetramethylphenyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-3-(2,3,5,6-tetramethylphenyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-3-(2,3,5,6-tetramethylphenyl)imidazo[1,5-a]pyridine is Cc1cc(C)c(C)c(-c2nc(Br)c3ccccn23)c1C.
What is the InChIKey of 1-bromo-3-(2,3,5,6-tetramethylphenyl)imidazo[1,5-a]pyridine?
The InChIKey is WUUNIUYUKVKLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2/c1-10-9-11(2)13(4)15(12(10)3)17-19-16(18)14-7-5-6-8-20(14)17/h5-9H,1-4H3.
What are the key properties of 1-bromo-3-(2,3,5,6-tetramethylphenyl)imidazo[1,5-a]pyridine?
1-bromo-3-(2,3,5,6-tetramethylphenyl)imidazo[1,5-a]pyridine has a molecular weight of 329.24 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2,3,5,6-tetramethylphenyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 116836587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).