6-bromo-3-(2,2-dimethylpropyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine

C20H23BrN2 — CID 51360751

IUPAC6-bromo-3-(2,2-dimethylpropyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine
SMILESCc1cc2nc(-c3ccccc3)c(CC(C)(C)C)n2c(C)c1Br
InChIInChI=1S/C20H23BrN2/c1-13-11-17-22-19(15-9-7-6-8-10-15)16(12-20(3,4)5)23(17)14(2)18(13)21/h6-11H,12H2,1-5H3
InChIKeyZIIMFUKPLLYORN-UHFFFAOYSA-N
MW371.32 g/mol
LogP5.97
Rot. Bonds2

About 6-bromo-3-(2,2-dimethylpropyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine

6-bromo-3-(2,2-dimethylpropyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine (PubChem CID 51360751) has the molecular formula C20H23BrN2 and a molecular weight of 371.32 g/mol. Its IUPAC name is 6-bromo-3-(2,2-dimethylpropyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(2,2-dimethylpropyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine
PubChem CID51360751
Molecular FormulaC20H23BrN2
Molecular Weight371.32 g/mol
Exact Mass370.10
IUPAC Name6-bromo-3-(2,2-dimethylpropyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine
SMILESCc1cc2nc(-c3ccccc3)c(CC(C)(C)C)n2c(C)c1Br
InChIInChI=1S/C20H23BrN2/c1-13-11-17-22-19(15-9-7-6-8-10-15)16(12-20(3,4)5)23(17)14(2)18(13)21/h6-11H,12H2,1-5H3
InChIKeyZIIMFUKPLLYORN-UHFFFAOYSA-N
XLogP5.97
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.32
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2,2-dimethylpropyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-(2,2-dimethylpropyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine (CID 51360751) is 6-bromo-3-(2,2-dimethylpropyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-(2,2-dimethylpropyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-(2,2-dimethylpropyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine is Cc1cc2nc(-c3ccccc3)c(CC(C)(C)C)n2c(C)c1Br.
What is the InChIKey of 6-bromo-3-(2,2-dimethylpropyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine?
The InChIKey is ZIIMFUKPLLYORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2/c1-13-11-17-22-19(15-9-7-6-8-10-15)16(12-20(3,4)5)23(17)14(2)18(13)21/h6-11H,12H2,1-5H3.
What are the key properties of 6-bromo-3-(2,2-dimethylpropyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine?
6-bromo-3-(2,2-dimethylpropyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine has a molecular weight of 371.32 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2,2-dimethylpropyl)-5,7-dimethyl-2-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 51360751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).