2-[4-[(2-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]-1H-imidazo[4,5-b]pyridine

C23H22FN3O — CID 70957023

IUPAC2-[4-[(2-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESCC(C)Cc1cc(OCc2ccccc2F)ccc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C23H22FN3O/c1-15(2)12-17-13-18(28-14-16-6-3-4-7-20(16)24)9-10-19(17)22-26-21-8-5-11-25-23(21)27-22/h3-11,13,15H,12,14H2,1-2H3,(H,25,26,27)
InChIKeySXHWJTCUUHJGHU-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.54
Rot. Bonds6

About 2-[4-[(2-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]-1H-imidazo[4,5-b]pyridine

2-[4-[(2-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 70957023) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID70957023
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name2-[4-[(2-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESCC(C)Cc1cc(OCc2ccccc2F)ccc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C23H22FN3O/c1-15(2)12-17-13-18(28-14-16-6-3-4-7-20(16)24)9-10-19(17)22-26-21-8-5-11-25-23(21)27-22/h3-11,13,15H,12,14H2,1-2H3,(H,25,26,27)
InChIKeySXHWJTCUUHJGHU-UHFFFAOYSA-N
XLogP5.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[4-[(2-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]-1H-imidazo[4,5-b]pyridine (CID 70957023) is 2-[4-[(2-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[4-[(2-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[4-[(2-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]-1H-imidazo[4,5-b]pyridine is CC(C)Cc1cc(OCc2ccccc2F)ccc1-c1nc2ncccc2[nH]1.
What is the InChIKey of 2-[4-[(2-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is SXHWJTCUUHJGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c1-15(2)12-17-13-18(28-14-16-6-3-4-7-20(16)24)9-10-19(17)22-26-21-8-5-11-25-23(21)27-22/h3-11,13,15H,12,14H2,1-2H3,(H,25,26,27).
What are the key properties of 2-[4-[(2-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]-1H-imidazo[4,5-b]pyridine?
2-[4-[(2-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 375.45 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 70957023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).