3-benzylimidazo[4,5-b]pyridin-2-amine

C13H12N4 — CID 79289249

IUPAC3-benzylimidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cccnc2n1Cc1ccccc1
InChIInChI=1S/C13H12N4/c14-13-16-11-7-4-8-15-12(11)17(13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,14,16)
InChIKeyDGQHLIFQEDQFMU-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.06
Rot. Bonds2

About 3-benzylimidazo[4,5-b]pyridin-2-amine

3-benzylimidazo[4,5-b]pyridin-2-amine (PubChem CID 79289249) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 3-benzylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-benzylimidazo[4,5-b]pyridin-2-amine
PubChem CID79289249
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name3-benzylimidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cccnc2n1Cc1ccccc1
InChIInChI=1S/C13H12N4/c14-13-16-11-7-4-8-15-12(11)17(13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,14,16)
InChIKeyDGQHLIFQEDQFMU-UHFFFAOYSA-N
XLogP2.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-benzylimidazo[4,5-b]pyridin-2-amine (CID 79289249) is 3-benzylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-benzylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-benzylimidazo[4,5-b]pyridin-2-amine is Nc1nc2cccnc2n1Cc1ccccc1.
What is the InChIKey of 3-benzylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is DGQHLIFQEDQFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-13-16-11-7-4-8-15-12(11)17(13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,14,16).
What are the key properties of 3-benzylimidazo[4,5-b]pyridin-2-amine?
3-benzylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 224.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79289249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).