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

C26H19F2N3O — CID 59130524

IUPAC2-(2,3-difluorophenyl)-5-[[4-(4-methoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine
SMILESCOc1ccc(-c2ccc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)cc2)cc1
InChIInChI=1S/C26H19F2N3O/c1-32-20-11-9-19(10-12-20)18-7-5-17(6-8-18)15-31-14-13-23-24(16-31)30-26(29-23)21-3-2-4-22(27)25(21)28/h2-14,16H,15H2,1H3
InChIKeyLWPMLGVOKXFJMN-UHFFFAOYSA-N
MW427.45 g/mol
LogP6.05
Rot. Bonds5

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

2-(2,3-difluorophenyl)-5-[[4-(4-methoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine (PubChem CID 59130524) has the molecular formula C26H19F2N3O and a molecular weight of 427.45 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-5-[[4-(4-methoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-5-[[4-(4-methoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine
PubChem CID59130524
Molecular FormulaC26H19F2N3O
Molecular Weight427.45 g/mol
Exact Mass427.15
IUPAC Name2-(2,3-difluorophenyl)-5-[[4-(4-methoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine
SMILESCOc1ccc(-c2ccc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)cc2)cc1
InChIInChI=1S/C26H19F2N3O/c1-32-20-11-9-19(10-12-20)18-7-5-17(6-8-18)15-31-14-13-23-24(16-31)30-26(29-23)21-3-2-4-22(27)25(21)28/h2-14,16H,15H2,1H3
InChIKeyLWPMLGVOKXFJMN-UHFFFAOYSA-N
XLogP6.05
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.45
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-(4-methoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-(4-methoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine (CID 59130524) is 2-(2,3-difluorophenyl)-5-[[4-(4-methoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-5-[[4-(4-methoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2,3-difluorophenyl)-5-[[4-(4-methoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine is COc1ccc(-c2ccc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)cc2)cc1.
What is the InChIKey of 2-(2,3-difluorophenyl)-5-[[4-(4-methoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine?
The InChIKey is LWPMLGVOKXFJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N3O/c1-32-20-11-9-19(10-12-20)18-7-5-17(6-8-18)15-31-14-13-23-24(16-31)30-26(29-23)21-3-2-4-22(27)25(21)28/h2-14,16H,15H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-5-[[4-(4-methoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine?
2-(2,3-difluorophenyl)-5-[[4-(4-methoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine has a molecular weight of 427.45 g/mol, XLogP of 6.05, 5 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-methoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 59130524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).