2-(2,3-difluorophenyl)-5-[[4-[2-(trifluoromethyl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine

C32H19F8N3O2 — CID 59130494

About 2-(2,3-difluorophenyl)-5-[[4-[2-(trifluoromethyl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine

2-(2,3-difluorophenyl)-5-[[4-[2-(trifluoromethyl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (PubChem CID 59130494) has the molecular formula C32H19F8N3O2 and a molecular weight of 629.51 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-5-[[4-[2-(trifluoromethyl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-(2,3-difluorophenyl)-5-[[4-[2-(trifluoromethyl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
• PubChem CID: 59130494
• Molecular Formula: C32H19F8N3O2
• Molecular Weight: 629.51 g/mol
• Exact Mass: 629.13
• IUPAC Name: 2-(2,3-difluorophenyl)-5-[[4-[2-(trifluoromethyl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
• SMILES: Fc1cccc(-c2nc3ccn(Cc4ccc(-c5ccc(OCc6ccc(C(F)(F)F)o6)cc5C(F)(F)F)cc4)cc-3n2)c1F
• InChI: InChI=1S/C32H19F8N3O2/c33-25-3-1-2-23(29(25)34)30-41-26-12-13-43(16-27(26)42-30)15-18-4-6-19(7-5-18)22-10-8-20(14-24(22)31(35,36)37)44-17-21-9-11-28(45-21)32(38,39)40/h1-14,16H,15,17H2
• InChIKey: LFWXOGDFMODOLV-UHFFFAOYSA-N
• XLogP: 9.25
• TPSA: 53.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.51
LogP ≤ 5	9.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-[2-(trifluoromethyl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?

The IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-[2-(trifluoromethyl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (CID 59130494) is 2-(2,3-difluorophenyl)-5-[[4-[2-(trifluoromethyl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.

What is the SMILES notation for 2-(2,3-difluorophenyl)-5-[[4-[2-(trifluoromethyl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?

The canonical SMILES for 2-(2,3-difluorophenyl)-5-[[4-[2-(trifluoromethyl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is Fc1cccc(-c2nc3ccn(Cc4ccc(-c5ccc(OCc6ccc(C(F)(F)F)o6)cc5C(F)(F)F)cc4)cc-3n2)c1F.

What is the InChIKey of 2-(2,3-difluorophenyl)-5-[[4-[2-(trifluoromethyl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?

The InChIKey is LFWXOGDFMODOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19F8N3O2/c33-25-3-1-2-23(29(25)34)30-41-26-12-13-43(16-27(26)42-30)15-18-4-6-19(7-5-18)22-10-8-20(14-24(22)31(35,36)37)44-17-21-9-11-28(45-21)32(38,39)40/h1-14,16H,15,17H2.

What are the key properties of 2-(2,3-difluorophenyl)-5-[[4-[2-(trifluoromethyl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?

2-(2,3-difluorophenyl)-5-[[4-[2-(trifluoromethyl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine has a molecular weight of 629.51 g/mol, XLogP of 9.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-difluorophenyl)-5-[[4-[2-(trifluoromethyl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 59130494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).