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

C26H17F4N3O — CID 59130710

IUPAC5-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine
SMILESFc1cccc(-c2nc3ccn(Cc4ccc(-c5ccc(OC(F)F)cc5)cc4)cc-3n2)c1F
InChIInChI=1S/C26H17F4N3O/c27-21-3-1-2-20(24(21)28)25-31-22-12-13-33(15-23(22)32-25)14-16-4-6-17(7-5-16)18-8-10-19(11-9-18)34-26(29)30/h1-13,15,26H,14H2
InChIKeyFMJKXPOETAYGSM-UHFFFAOYSA-N
MW463.43 g/mol
LogP6.64
Rot. Bonds6

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

5-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine (PubChem CID 59130710) has the molecular formula C26H17F4N3O and a molecular weight of 463.43 g/mol. Its IUPAC name is 5-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine
PubChem CID59130710
Molecular FormulaC26H17F4N3O
Molecular Weight463.43 g/mol
Exact Mass463.13
IUPAC Name5-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine
SMILESFc1cccc(-c2nc3ccn(Cc4ccc(-c5ccc(OC(F)F)cc5)cc4)cc-3n2)c1F
InChIInChI=1S/C26H17F4N3O/c27-21-3-1-2-20(24(21)28)25-31-22-12-13-33(15-23(22)32-25)14-16-4-6-17(7-5-16)18-8-10-19(11-9-18)34-26(29)30/h1-13,15,26H,14H2
InChIKeyFMJKXPOETAYGSM-UHFFFAOYSA-N
XLogP6.64
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.43
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 5-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine (CID 59130710) is 5-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 5-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine is Fc1cccc(-c2nc3ccn(Cc4ccc(-c5ccc(OC(F)F)cc5)cc4)cc-3n2)c1F.
What is the InChIKey of 5-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine?
The InChIKey is FMJKXPOETAYGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F4N3O/c27-21-3-1-2-20(24(21)28)25-31-22-12-13-33(15-23(22)32-25)14-16-4-6-17(7-5-16)18-8-10-19(11-9-18)34-26(29)30/h1-13,15,26H,14H2.
What are the key properties of 5-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine?
5-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine has a molecular weight of 463.43 g/mol, XLogP of 6.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 59130710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).