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

C34H32F5N3O — CID 59130694

IUPAC2-(2,3-difluorophenyl)-5-[[4-[4-(2-ethylhexoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
SMILESCCCCC(CC)COc1ccc(-c2ccc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C34H32F5N3O/c1-3-5-7-22(4-2)21-43-25-14-15-26(28(18-25)34(37,38)39)24-12-10-23(11-13-24)19-42-17-16-30-31(20-42)41-33(40-30)27-8-6-9-29(35)32(27)36/h6,8-18,20,22H,3-5,7,19,21H2,1-2H3
InChIKeyKKVJQVVJVBSSTH-UHFFFAOYSA-N
MW593.64 g/mol
LogP9.66
Rot. Bonds11

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

2-(2,3-difluorophenyl)-5-[[4-[4-(2-ethylhexoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (PubChem CID 59130694) has the molecular formula C34H32F5N3O and a molecular weight of 593.64 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-5-[[4-[4-(2-ethylhexoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-5-[[4-[4-(2-ethylhexoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
PubChem CID59130694
Molecular FormulaC34H32F5N3O
Molecular Weight593.64 g/mol
Exact Mass593.25
IUPAC Name2-(2,3-difluorophenyl)-5-[[4-[4-(2-ethylhexoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
SMILESCCCCC(CC)COc1ccc(-c2ccc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C34H32F5N3O/c1-3-5-7-22(4-2)21-43-25-14-15-26(28(18-25)34(37,38)39)24-12-10-23(11-13-24)19-42-17-16-30-31(20-42)41-33(40-30)27-8-6-9-29(35)32(27)36/h6,8-18,20,22H,3-5,7,19,21H2,1-2H3
InChIKeyKKVJQVVJVBSSTH-UHFFFAOYSA-N
XLogP9.66
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.64
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-difluorophenyl)-5-[[4-[4-(2-ethylhexoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]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-(2,3-difluorophenyl)-5-[[4-[4-(2-ethylhexoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-[4-(2-ethylhexoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (CID 59130694) is 2-(2,3-difluorophenyl)-5-[[4-[4-(2-ethylhexoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-5-[[4-[4-(2-ethylhexoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2,3-difluorophenyl)-5-[[4-[4-(2-ethylhexoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is CCCCC(CC)COc1ccc(-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-ethylhexoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The InChIKey is KKVJQVVJVBSSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F5N3O/c1-3-5-7-22(4-2)21-43-25-14-15-26(28(18-25)34(37,38)39)24-12-10-23(11-13-24)19-42-17-16-30-31(20-42)41-33(40-30)27-8-6-9-29(35)32(27)36/h6,8-18,20,22H,3-5,7,19,21H2,1-2H3.
What are the key properties of 2-(2,3-difluorophenyl)-5-[[4-[4-(2-ethylhexoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
2-(2,3-difluorophenyl)-5-[[4-[4-(2-ethylhexoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine has a molecular weight of 593.64 g/mol, XLogP of 9.66, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-5-[[4-[4-(2-ethylhexoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 59130694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).