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

C29H22F5N3O2 — CID 59130808

IUPAC2-(2,3-difluorophenyl)-5-[[4-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
SMILESCOCCOc1ccc(-c2ccc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C29H22F5N3O2/c1-38-13-14-39-20-9-10-21(23(15-20)29(32,33)34)19-7-5-18(6-8-19)16-37-12-11-25-26(17-37)36-28(35-25)22-3-2-4-24(30)27(22)31/h2-12,15,17H,13-14,16H2,1H3
InChIKeyNWARAUVQDMZKLG-UHFFFAOYSA-N
MW539.50 g/mol
LogP7.09
Rot. Bonds8

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

2-(2,3-difluorophenyl)-5-[[4-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (PubChem CID 59130808) has the molecular formula C29H22F5N3O2 and a molecular weight of 539.50 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-5-[[4-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-5-[[4-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
PubChem CID59130808
Molecular FormulaC29H22F5N3O2
Molecular Weight539.50 g/mol
Exact Mass539.16
IUPAC Name2-(2,3-difluorophenyl)-5-[[4-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
SMILESCOCCOc1ccc(-c2ccc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C29H22F5N3O2/c1-38-13-14-39-20-9-10-21(23(15-20)29(32,33)34)19-7-5-18(6-8-19)16-37-12-11-25-26(17-37)36-28(35-25)22-3-2-4-24(30)27(22)31/h2-12,15,17H,13-14,16H2,1H3
InChIKeyNWARAUVQDMZKLG-UHFFFAOYSA-N
XLogP7.09
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.50
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (CID 59130808) is 2-(2,3-difluorophenyl)-5-[[4-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-5-[[4-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2,3-difluorophenyl)-5-[[4-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is COCCOc1ccc(-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-methoxyethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
The InChIKey is NWARAUVQDMZKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F5N3O2/c1-38-13-14-39-20-9-10-21(23(15-20)29(32,33)34)19-7-5-18(6-8-19)16-37-12-11-25-26(17-37)36-28(35-25)22-3-2-4-24(30)27(22)31/h2-12,15,17H,13-14,16H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-5-[[4-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?
2-(2,3-difluorophenyl)-5-[[4-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine has a molecular weight of 539.50 g/mol, XLogP of 7.09, 8 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-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 59130808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).