5-(benzimidazol-1-yl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine

C19H14N6 — CID 11951572

IUPAC5-(benzimidazol-1-yl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cncc(Cn2cnc3ccc(-n4cnc5ccccc54)nc32)c1
InChIInChI=1S/C19H14N6/c1-2-6-17-15(5-1)22-13-25(17)18-8-7-16-19(23-18)24(12-21-16)11-14-4-3-9-20-10-14/h1-10,12-13H,11H2
InChIKeyXAPSNMCRZZVQNM-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.21
Rot. Bonds3

About 5-(benzimidazol-1-yl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine

5-(benzimidazol-1-yl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 11951572) has the molecular formula C19H14N6 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-(benzimidazol-1-yl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(benzimidazol-1-yl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID11951572
Molecular FormulaC19H14N6
Molecular Weight326.36 g/mol
Exact Mass326.13
IUPAC Name5-(benzimidazol-1-yl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cncc(Cn2cnc3ccc(-n4cnc5ccccc54)nc32)c1
InChIInChI=1S/C19H14N6/c1-2-6-17-15(5-1)22-13-25(17)18-8-7-16-19(23-18)24(12-21-16)11-14-4-3-9-20-10-14/h1-10,12-13H,11H2
InChIKeyXAPSNMCRZZVQNM-UHFFFAOYSA-N
XLogP3.21
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(benzimidazol-1-yl)-3-(pyridin-3-ylmethyl)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 5-(benzimidazol-1-yl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 5-(benzimidazol-1-yl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine (CID 11951572) is 5-(benzimidazol-1-yl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-(benzimidazol-1-yl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 5-(benzimidazol-1-yl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine is c1cncc(Cn2cnc3ccc(-n4cnc5ccccc54)nc32)c1.
What is the InChIKey of 5-(benzimidazol-1-yl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is XAPSNMCRZZVQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6/c1-2-6-17-15(5-1)22-13-25(17)18-8-7-16-19(23-18)24(12-21-16)11-14-4-3-9-20-10-14/h1-10,12-13H,11H2.
What are the key properties of 5-(benzimidazol-1-yl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine?
5-(benzimidazol-1-yl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 326.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-yl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 11951572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).