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

C20H21F3N2 — CID 51359992

IUPAC2-tert-butyl-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
SMILESCc1ccc2nc(C(C)(C)C)c(Cc3ccccc3C(F)(F)F)n2c1
InChIInChI=1S/C20H21F3N2/c1-13-9-10-17-24-18(19(2,3)4)16(25(17)12-13)11-14-7-5-6-8-15(14)20(21,22)23/h5-10,12H,11H2,1-4H3
InChIKeyBQSVSICLBJSFKX-UHFFFAOYSA-N
MW346.40 g/mol
LogP5.55
Rot. Bonds2

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

2-tert-butyl-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine (PubChem CID 51359992) has the molecular formula C20H21F3N2 and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-tert-butyl-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-tert-butyl-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
PubChem CID51359992
Molecular FormulaC20H21F3N2
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name2-tert-butyl-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
SMILESCc1ccc2nc(C(C)(C)C)c(Cc3ccccc3C(F)(F)F)n2c1
InChIInChI=1S/C20H21F3N2/c1-13-9-10-17-24-18(19(2,3)4)16(25(17)12-13)11-14-7-5-6-8-15(14)20(21,22)23/h5-10,12H,11H2,1-4H3
InChIKeyBQSVSICLBJSFKX-UHFFFAOYSA-N
XLogP5.55
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.40
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-6-methyl-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 2-tert-butyl-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-tert-butyl-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine (CID 51359992) is 2-tert-butyl-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-tert-butyl-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-tert-butyl-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine is Cc1ccc2nc(C(C)(C)C)c(Cc3ccccc3C(F)(F)F)n2c1.
What is the InChIKey of 2-tert-butyl-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is BQSVSICLBJSFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2/c1-13-9-10-17-24-18(19(2,3)4)16(25(17)12-13)11-14-7-5-6-8-15(14)20(21,22)23/h5-10,12H,11H2,1-4H3.
What are the key properties of 2-tert-butyl-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
2-tert-butyl-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 346.40 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 51359992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).