6-bromo-2-(4-methylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine

C22H16BrF3N2 — CID 51360602

IUPAC6-bromo-2-(4-methylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C22H16BrF3N2/c1-14-6-8-15(9-7-14)21-19(28-13-17(23)10-11-20(28)27-21)12-16-4-2-3-5-18(16)22(24,25)26/h2-11,13H,12H2,1H3
InChIKeyVSTFIIOMWJLJMS-UHFFFAOYSA-N
MW445.28 g/mol
LogP6.68
Rot. Bonds3

About 6-bromo-2-(4-methylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine

6-bromo-2-(4-methylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine (PubChem CID 51360602) has the molecular formula C22H16BrF3N2 and a molecular weight of 445.28 g/mol. Its IUPAC name is 6-bromo-2-(4-methylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(4-methylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
PubChem CID51360602
Molecular FormulaC22H16BrF3N2
Molecular Weight445.28 g/mol
Exact Mass444.04
IUPAC Name6-bromo-2-(4-methylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C22H16BrF3N2/c1-14-6-8-15(9-7-14)21-19(28-13-17(23)10-11-20(28)27-21)12-16-4-2-3-5-18(16)22(24,25)26/h2-11,13H,12H2,1H3
InChIKeyVSTFIIOMWJLJMS-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

Analyze 6-bromo-2-(4-methylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(4-methylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine (CID 51360602) is 6-bromo-2-(4-methylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(4-methylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(4-methylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine is Cc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 6-bromo-2-(4-methylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is VSTFIIOMWJLJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrF3N2/c1-14-6-8-15(9-7-14)21-19(28-13-17(23)10-11-20(28)27-21)12-16-4-2-3-5-18(16)22(24,25)26/h2-11,13H,12H2,1H3.
What are the key properties of 6-bromo-2-(4-methylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
6-bromo-2-(4-methylphenyl)-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 6-bromo-2-(4-methylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 51360602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).