3-(4-bromo-2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridine

C21H17BrN2 — CID 90362616

IUPAC3-(4-bromo-2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridine
SMILESCc1cc(-c2c(-c3ccccc3)nc3ccccn23)c(C)cc1Br
InChIInChI=1S/C21H17BrN2/c1-14-13-18(22)15(2)12-17(14)21-20(16-8-4-3-5-9-16)23-19-10-6-7-11-24(19)21/h3-13H,1-2H3
InChIKeyYMZSIICVNNEMAG-UHFFFAOYSA-N
MW377.29 g/mol
LogP6.05
Rot. Bonds2

About 3-(4-bromo-2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridine

3-(4-bromo-2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridine (PubChem CID 90362616) has the molecular formula C21H17BrN2 and a molecular weight of 377.29 g/mol. Its IUPAC name is 3-(4-bromo-2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(4-bromo-2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridine
PubChem CID90362616
Molecular FormulaC21H17BrN2
Molecular Weight377.29 g/mol
Exact Mass376.06
IUPAC Name3-(4-bromo-2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridine
SMILESCc1cc(-c2c(-c3ccccc3)nc3ccccn23)c(C)cc1Br
InChIInChI=1S/C21H17BrN2/c1-14-13-18(22)15(2)12-17(14)21-20(16-8-4-3-5-9-16)23-19-10-6-7-11-24(19)21/h3-13H,1-2H3
InChIKeyYMZSIICVNNEMAG-UHFFFAOYSA-N
XLogP6.05
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.29
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 3-(4-bromo-2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridine (CID 90362616) is 3-(4-bromo-2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(4-bromo-2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(4-bromo-2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridine is Cc1cc(-c2c(-c3ccccc3)nc3ccccn23)c(C)cc1Br.
What is the InChIKey of 3-(4-bromo-2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridine?
The InChIKey is YMZSIICVNNEMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2/c1-14-13-18(22)15(2)12-17(14)21-20(16-8-4-3-5-9-16)23-19-10-6-7-11-24(19)21/h3-13H,1-2H3.
What are the key properties of 3-(4-bromo-2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridine?
3-(4-bromo-2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridine has a molecular weight of 377.29 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 90362616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).