3-benzylimidazo[4,5-b]pyridine

C13H11N3 — CID 11009167

IUPAC3-benzylimidazo[4,5-b]pyridine
SMILESc1ccc(Cn2cnc3cccnc32)cc1
InChIInChI=1S/C13H11N3/c1-2-5-11(6-3-1)9-16-10-15-12-7-4-8-14-13(12)16/h1-8,10H,9H2
InChIKeyQEBUDKVYOQLSOC-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.48
Rot. Bonds2

About 3-benzylimidazo[4,5-b]pyridine

3-benzylimidazo[4,5-b]pyridine (PubChem CID 11009167) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-benzylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-benzylimidazo[4,5-b]pyridine
PubChem CID11009167
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name3-benzylimidazo[4,5-b]pyridine
SMILESc1ccc(Cn2cnc3cccnc32)cc1
InChIInChI=1S/C13H11N3/c1-2-5-11(6-3-1)9-16-10-15-12-7-4-8-14-13(12)16/h1-8,10H,9H2
InChIKeyQEBUDKVYOQLSOC-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(imidazo[4,5-b]pyridin-3-ylmethyl)-2-phenylquinoline
CID 154308926
ethyl 4-(imidazo[4,5-b]pyridin-3-ylmethyl)benzoate
CID 14369782
3-[(4-phenylphenyl)methyl]pyrido[3,2-d]pyrimidin-4-one
CID 121275650
1-benzyl-7-methylbenzimidazole
CID 10933051
1-[(1-benzylimidazol-2-yl)methyl]benzimidazole
CID 174431389
3-benzylimidazo[4,5-b]pyridin-2-amine
CID 79289249
5-(benzimidazol-1-yl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 11951572
2-imidazo[4,5-b]pyridin-3-yl-3-phenylpropanoic acid
CID 82514410
3-benzylbenzimidazole-4-carboxylic acid
CID 83413316
1-benzyl-3-chloropyrazolo[5,4-b]pyridine
CID 12597363
1-[(3,5-dichlorophenyl)methyl]benzimidazole
CID 150699532
3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine
CID 97180386

Frequently Asked Questions

What is the IUPAC name of 3-benzylimidazo[4,5-b]pyridine?
The IUPAC name of 3-benzylimidazo[4,5-b]pyridine (CID 11009167) is 3-benzylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-benzylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-benzylimidazo[4,5-b]pyridine is c1ccc(Cn2cnc3cccnc32)cc1.
What is the InChIKey of 3-benzylimidazo[4,5-b]pyridine?
The InChIKey is QEBUDKVYOQLSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-2-5-11(6-3-1)9-16-10-15-12-7-4-8-14-13(12)16/h1-8,10H,9H2.
What are the key properties of 3-benzylimidazo[4,5-b]pyridine?
3-benzylimidazo[4,5-b]pyridine has a molecular weight of 209.25 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylimidazo[4,5-b]pyridine is sourced from PubChem (CID 11009167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).