4-benzylimidazo[4,5-b]pyridine

C13H11N3 — CID 10035996

IUPAC4-benzylimidazo[4,5-b]pyridine
SMILESc1ccc(Cn2cccc3ncnc2-3)cc1
InChIInChI=1S/C13H11N3/c1-2-5-11(6-3-1)9-16-8-4-7-12-13(16)15-10-14-12/h1-8,10H,9H2
InChIKeyRHANWYZLBIKHJV-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.43
Rot. Bonds2

About 4-benzylimidazo[4,5-b]pyridine

4-benzylimidazo[4,5-b]pyridine (PubChem CID 10035996) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-benzylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name4-benzylimidazo[4,5-b]pyridine
PubChem CID10035996
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name4-benzylimidazo[4,5-b]pyridine
SMILESc1ccc(Cn2cccc3ncnc2-3)cc1
InChIInChI=1S/C13H11N3/c1-2-5-11(6-3-1)9-16-8-4-7-12-13(16)15-10-14-12/h1-8,10H,9H2
InChIKeyRHANWYZLBIKHJV-UHFFFAOYSA-N
XLogP2.43
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzylimidazo[4,5-b]pyridine?
The IUPAC name of 4-benzylimidazo[4,5-b]pyridine (CID 10035996) is 4-benzylimidazo[4,5-b]pyridine.
What is the SMILES notation for 4-benzylimidazo[4,5-b]pyridine?
The canonical SMILES for 4-benzylimidazo[4,5-b]pyridine is c1ccc(Cn2cccc3ncnc2-3)cc1.
What is the InChIKey of 4-benzylimidazo[4,5-b]pyridine?
The InChIKey is RHANWYZLBIKHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-2-5-11(6-3-1)9-16-8-4-7-12-13(16)15-10-14-12/h1-8,10H,9H2.
What are the key properties of 4-benzylimidazo[4,5-b]pyridine?
4-benzylimidazo[4,5-b]pyridine has a molecular weight of 209.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylimidazo[4,5-b]pyridine is sourced from PubChem (CID 10035996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).