2-(2,3-difluorophenyl)-5-[[4-[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine

C31H26F5N3O3 — CID 59130523

About 2-(2,3-difluorophenyl)-5-[[4-[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine

2-(2,3-difluorophenyl)-5-[[4-[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (PubChem CID 59130523) has the molecular formula C31H26F5N3O3 and a molecular weight of 583.56 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-5-[[4-[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-(2,3-difluorophenyl)-5-[[4-[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
• PubChem CID: 59130523
• Molecular Formula: C31H26F5N3O3
• Molecular Weight: 583.56 g/mol
• Exact Mass: 583.19
• IUPAC Name: 2-(2,3-difluorophenyl)-5-[[4-[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
• SMILES: COCCOCCOc1ccc(-c2ccc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)cc2)c(C(F)(F)F)c1
• InChI: InChI=1S/C31H26F5N3O3/c1-40-13-14-41-15-16-42-22-9-10-23(25(17-22)31(34,35)36)21-7-5-20(6-8-21)18-39-12-11-27-28(19-39)38-30(37-27)24-3-2-4-26(32)29(24)33/h2-12,17,19H,13-16,18H2,1H3
• InChIKey: OPOATXJJTMGZKR-UHFFFAOYSA-N
• XLogP: 7.10
• TPSA: 58.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.56
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (CID 59130523) is 2-(2,3-difluorophenyl)-5-[[4-[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.

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

The canonical SMILES for 2-(2,3-difluorophenyl)-5-[[4-[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is COCCOCCOc1ccc(-c2ccc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)cc2)c(C(F)(F)F)c1.

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

The InChIKey is OPOATXJJTMGZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F5N3O3/c1-40-13-14-41-15-16-42-22-9-10-23(25(17-22)31(34,35)36)21-7-5-20(6-8-21)18-39-12-11-27-28(19-39)38-30(37-27)24-3-2-4-26(32)29(24)33/h2-12,17,19H,13-16,18H2,1H3.

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

2-(2,3-difluorophenyl)-5-[[4-[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine has a molecular weight of 583.56 g/mol, XLogP of 7.10, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-difluorophenyl)-5-[[4-[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 59130523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).