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

C14H13N3O — CID 62098401

IUPAC2-[methoxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine
SMILESCOC(c1ccccc1)c1nc2ncccc2[nH]1
InChIInChI=1S/C14H13N3O/c1-18-12(10-6-3-2-4-7-10)14-16-11-8-5-9-15-13(11)17-14/h2-9,12H,1H3,(H,15,16,17)
InChIKeyZOWIQAVQFMWGPY-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.69
Rot. Bonds3

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

2-[methoxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 62098401) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[methoxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[methoxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine
PubChem CID62098401
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-[methoxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine
SMILESCOC(c1ccccc1)c1nc2ncccc2[nH]1
InChIInChI=1S/C14H13N3O/c1-18-12(10-6-3-2-4-7-10)14-16-11-8-5-9-15-13(11)17-14/h2-9,12H,1H3,(H,15,16,17)
InChIKeyZOWIQAVQFMWGPY-UHFFFAOYSA-N
XLogP2.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[methoxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine (CID 62098401) is 2-[methoxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[methoxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[methoxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine is COC(c1ccccc1)c1nc2ncccc2[nH]1.
What is the InChIKey of 2-[methoxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZOWIQAVQFMWGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-18-12(10-6-3-2-4-7-10)14-16-11-8-5-9-15-13(11)17-14/h2-9,12H,1H3,(H,15,16,17).
What are the key properties of 2-[methoxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine?
2-[methoxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 239.28 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 62098401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).