2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine

C29H18F6N4 — CID 132518642

About 2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine

2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 132518642) has the molecular formula C29H18F6N4 and a molecular weight of 536.48 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine
• PubChem CID: 132518642
• Molecular Formula: C29H18F6N4
• Molecular Weight: 536.48 g/mol
• Exact Mass: 536.14
• IUPAC Name: 2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine
• SMILES: FC(F)(F)c1ccc(-c2nc3ccccn3c2Cc2c(-c3ccc(C(F)(F)F)cc3)nc3ccccn23)cc1
• InChI: InChI=1S/C29H18F6N4/c30-28(31,32)20-11-7-18(8-12-20)26-22(38-15-3-1-5-24(38)36-26)17-23-27(37-25-6-2-4-16-39(23)25)19-9-13-21(14-10-19)29(33,34)35/h1-16H,17H2
• InChIKey: LSRIMHPENVOWQU-UHFFFAOYSA-N
• XLogP: 7.94
• TPSA: 34.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.48
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine?

The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine (CID 132518642) is 2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine.

What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine?

The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine is FC(F)(F)c1ccc(-c2nc3ccccn3c2Cc2c(-c3ccc(C(F)(F)F)cc3)nc3ccccn23)cc1.

What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine?

The InChIKey is LSRIMHPENVOWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18F6N4/c30-28(31,32)20-11-7-18(8-12-20)26-22(38-15-3-1-5-24(38)36-26)17-23-27(37-25-6-2-4-16-39(23)25)19-9-13-21(14-10-19)29(33,34)35/h1-16H,17H2.

What are the key properties of 2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine?

2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 536.48 g/mol, XLogP of 7.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 132518642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).