2-(1,3-benzodioxol-5-ylmethyl)-6-(1-benzofuran-2-yl)-1H-imidazo[4,5-b]pyridine

C22H15N3O3 — CID 23025742

IUPAC2-(1,3-benzodioxol-5-ylmethyl)-6-(1-benzofuran-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESc1ccc2oc(-c3cnc4nc(Cc5ccc6c(c5)OCO6)[nH]c4c3)cc2c1
InChIInChI=1S/C22H15N3O3/c1-2-4-17-14(3-1)10-19(28-17)15-9-16-22(23-11-15)25-21(24-16)8-13-5-6-18-20(7-13)27-12-26-18/h1-7,9-11H,8,12H2,(H,23,24,25)
InChIKeyQQBCRMMHDXLHGV-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.69
Rot. Bonds3

About 2-(1,3-benzodioxol-5-ylmethyl)-6-(1-benzofuran-2-yl)-1H-imidazo[4,5-b]pyridine

2-(1,3-benzodioxol-5-ylmethyl)-6-(1-benzofuran-2-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 23025742) has the molecular formula C22H15N3O3 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethyl)-6-(1-benzofuran-2-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethyl)-6-(1-benzofuran-2-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID23025742
Molecular FormulaC22H15N3O3
Molecular Weight369.38 g/mol
Exact Mass369.11
IUPAC Name2-(1,3-benzodioxol-5-ylmethyl)-6-(1-benzofuran-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESc1ccc2oc(-c3cnc4nc(Cc5ccc6c(c5)OCO6)[nH]c4c3)cc2c1
InChIInChI=1S/C22H15N3O3/c1-2-4-17-14(3-1)10-19(28-17)15-9-16-22(23-11-15)25-21(24-16)8-13-5-6-18-20(7-13)27-12-26-18/h1-7,9-11H,8,12H2,(H,23,24,25)
InChIKeyQQBCRMMHDXLHGV-UHFFFAOYSA-N
XLogP4.69
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-benzodioxol-5-ylmethyl)-6-(1-benzofuran-2-yl)-1H-imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethyl)-6-(1-benzofuran-2-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethyl)-6-(1-benzofuran-2-yl)-1H-imidazo[4,5-b]pyridine (CID 23025742) is 2-(1,3-benzodioxol-5-ylmethyl)-6-(1-benzofuran-2-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethyl)-6-(1-benzofuran-2-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethyl)-6-(1-benzofuran-2-yl)-1H-imidazo[4,5-b]pyridine is c1ccc2oc(-c3cnc4nc(Cc5ccc6c(c5)OCO6)[nH]c4c3)cc2c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethyl)-6-(1-benzofuran-2-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is QQBCRMMHDXLHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3/c1-2-4-17-14(3-1)10-19(28-17)15-9-16-22(23-11-15)25-21(24-16)8-13-5-6-18-20(7-13)27-12-26-18/h1-7,9-11H,8,12H2,(H,23,24,25).
What are the key properties of 2-(1,3-benzodioxol-5-ylmethyl)-6-(1-benzofuran-2-yl)-1H-imidazo[4,5-b]pyridine?
2-(1,3-benzodioxol-5-ylmethyl)-6-(1-benzofuran-2-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 369.38 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethyl)-6-(1-benzofuran-2-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 23025742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).