2-(phenoxymethyl)-6-(3-propan-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine

C20H19N3OS — CID 155548368

IUPAC2-(phenoxymethyl)-6-(3-propan-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESCC(C)c1ccsc1-c1cnc2nc(COc3ccccc3)[nH]c2c1
InChIInChI=1S/C20H19N3OS/c1-13(2)16-8-9-25-19(16)14-10-17-20(21-11-14)23-18(22-17)12-24-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,21,22,23)
InChIKeyAEEBOLKCUYHYCT-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.39
Rot. Bonds5

About 2-(phenoxymethyl)-6-(3-propan-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine

2-(phenoxymethyl)-6-(3-propan-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 155548368) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(phenoxymethyl)-6-(3-propan-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(phenoxymethyl)-6-(3-propan-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID155548368
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name2-(phenoxymethyl)-6-(3-propan-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESCC(C)c1ccsc1-c1cnc2nc(COc3ccccc3)[nH]c2c1
InChIInChI=1S/C20H19N3OS/c1-13(2)16-8-9-25-19(16)14-10-17-20(21-11-14)23-18(22-17)12-24-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,21,22,23)
InChIKeyAEEBOLKCUYHYCT-UHFFFAOYSA-N
XLogP5.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-6-(3-propan-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(phenoxymethyl)-6-(3-propan-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine (CID 155548368) is 2-(phenoxymethyl)-6-(3-propan-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(phenoxymethyl)-6-(3-propan-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(phenoxymethyl)-6-(3-propan-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine is CC(C)c1ccsc1-c1cnc2nc(COc3ccccc3)[nH]c2c1.
What is the InChIKey of 2-(phenoxymethyl)-6-(3-propan-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is AEEBOLKCUYHYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-13(2)16-8-9-25-19(16)14-10-17-20(21-11-14)23-18(22-17)12-24-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(phenoxymethyl)-6-(3-propan-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine?
2-(phenoxymethyl)-6-(3-propan-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 349.46 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-6-(3-propan-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 155548368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).