2-(3-bromophenyl)-6-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine

C20H16BrN3 — CID 51359843

IUPAC2-(3-bromophenyl)-6-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc2nc(-c3cccc(Br)c3)c(Cc3ccccn3)n2c1
InChIInChI=1S/C20H16BrN3/c1-14-8-9-19-23-20(15-5-4-6-16(21)11-15)18(24(19)13-14)12-17-7-2-3-10-22-17/h2-11,13H,12H2,1H3
InChIKeyNTKMRNDPPWEERW-UHFFFAOYSA-N
MW378.27 g/mol
LogP5.06
Rot. Bonds3

About 2-(3-bromophenyl)-6-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine

2-(3-bromophenyl)-6-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 51359843) has the molecular formula C20H16BrN3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID51359843
Molecular FormulaC20H16BrN3
Molecular Weight378.27 g/mol
Exact Mass377.05
IUPAC Name2-(3-bromophenyl)-6-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc2nc(-c3cccc(Br)c3)c(Cc3ccccn3)n2c1
InChIInChI=1S/C20H16BrN3/c1-14-8-9-19-23-20(15-5-4-6-16(21)11-15)18(24(19)13-14)12-17-7-2-3-10-22-17/h2-11,13H,12H2,1H3
InChIKeyNTKMRNDPPWEERW-UHFFFAOYSA-N
XLogP5.06
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.27
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(3-bromophenyl)-6-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine (CID 51359843) is 2-(3-bromophenyl)-6-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(3-bromophenyl)-6-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(3-bromophenyl)-6-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine is Cc1ccc2nc(-c3cccc(Br)c3)c(Cc3ccccn3)n2c1.
What is the InChIKey of 2-(3-bromophenyl)-6-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is NTKMRNDPPWEERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3/c1-14-8-9-19-23-20(15-5-4-6-16(21)11-15)18(24(19)13-14)12-17-7-2-3-10-22-17/h2-11,13H,12H2,1H3.
What are the key properties of 2-(3-bromophenyl)-6-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine?
2-(3-bromophenyl)-6-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 378.27 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 51359843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).