2-(3-bromophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine

C22H16BrF3N2 — CID 51359820

IUPAC2-(3-bromophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
SMILESCc1ccc2nc(-c3cccc(Br)c3)c(Cc3ccccc3C(F)(F)F)n2c1
InChIInChI=1S/C22H16BrF3N2/c1-14-9-10-20-27-21(16-6-4-7-17(23)11-16)19(28(20)13-14)12-15-5-2-3-8-18(15)22(24,25)26/h2-11,13H,12H2,1H3
InChIKeyBQPMHXRSZDGRMF-UHFFFAOYSA-N
MW445.28 g/mol
LogP6.68
Rot. Bonds3

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

2-(3-bromophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine (PubChem CID 51359820) has the molecular formula C22H16BrF3N2 and a molecular weight of 445.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
PubChem CID51359820
Molecular FormulaC22H16BrF3N2
Molecular Weight445.28 g/mol
Exact Mass444.04
IUPAC Name2-(3-bromophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
SMILESCc1ccc2nc(-c3cccc(Br)c3)c(Cc3ccccc3C(F)(F)F)n2c1
InChIInChI=1S/C22H16BrF3N2/c1-14-9-10-20-27-21(16-6-4-7-17(23)11-16)19(28(20)13-14)12-15-5-2-3-8-18(15)22(24,25)26/h2-11,13H,12H2,1H3
InChIKeyBQPMHXRSZDGRMF-UHFFFAOYSA-N
XLogP6.68
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.28
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(3-bromophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine (CID 51359820) is 2-(3-bromophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(3-bromophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(3-bromophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine is Cc1ccc2nc(-c3cccc(Br)c3)c(Cc3ccccc3C(F)(F)F)n2c1.
What is the InChIKey of 2-(3-bromophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is BQPMHXRSZDGRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrF3N2/c1-14-9-10-20-27-21(16-6-4-7-17(23)11-16)19(28(20)13-14)12-15-5-2-3-8-18(15)22(24,25)26/h2-11,13H,12H2,1H3.
What are the key properties of 2-(3-bromophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
2-(3-bromophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 445.28 g/mol, XLogP of 6.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 51359820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).