2-butyl-5-methyl-5H-imidazo[4,5-b]pyridine

C11H15N3 — CID 150760662

IUPAC2-butyl-5-methyl-5H-imidazo[4,5-b]pyridine
SMILESCCCCC1=NC2=NC(C)C=CC2=N1
InChIInChI=1S/C11H15N3/c1-3-4-5-10-13-9-7-6-8(2)12-11(9)14-10/h6-8H,3-5H2,1-2H3
InChIKeyJXTPUEFGHCTSTL-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.39
Rot. Bonds3

About 2-butyl-5-methyl-5H-imidazo[4,5-b]pyridine

2-butyl-5-methyl-5H-imidazo[4,5-b]pyridine (PubChem CID 150760662) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-butyl-5-methyl-5H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-butyl-5-methyl-5H-imidazo[4,5-b]pyridine
PubChem CID150760662
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-butyl-5-methyl-5H-imidazo[4,5-b]pyridine
SMILESCCCCC1=NC2=NC(C)C=CC2=N1
InChIInChI=1S/C11H15N3/c1-3-4-5-10-13-9-7-6-8(2)12-11(9)14-10/h6-8H,3-5H2,1-2H3
InChIKeyJXTPUEFGHCTSTL-UHFFFAOYSA-N
XLogP2.39
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methyl-5H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-butyl-5-methyl-5H-imidazo[4,5-b]pyridine (CID 150760662) is 2-butyl-5-methyl-5H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-butyl-5-methyl-5H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-butyl-5-methyl-5H-imidazo[4,5-b]pyridine is CCCCC1=NC2=NC(C)C=CC2=N1.
What is the InChIKey of 2-butyl-5-methyl-5H-imidazo[4,5-b]pyridine?
The InChIKey is JXTPUEFGHCTSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-3-4-5-10-13-9-7-6-8(2)12-11(9)14-10/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-butyl-5-methyl-5H-imidazo[4,5-b]pyridine?
2-butyl-5-methyl-5H-imidazo[4,5-b]pyridine has a molecular weight of 189.26 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methyl-5H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 150760662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).