1-(3-methylbutyl)imidazo[4,5-b]pyridine

C11H15N3 — CID 20771991

IUPAC1-(3-methylbutyl)imidazo[4,5-b]pyridine
SMILESCC(C)CCn1cnc2ncccc21
InChIInChI=1S/C11H15N3/c1-9(2)5-7-14-8-13-11-10(14)4-3-6-12-11/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyTWSWGHLOLMZGOU-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.48
Rot. Bonds3

About 1-(3-methylbutyl)imidazo[4,5-b]pyridine

1-(3-methylbutyl)imidazo[4,5-b]pyridine (PubChem CID 20771991) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(3-methylbutyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-(3-methylbutyl)imidazo[4,5-b]pyridine
PubChem CID20771991
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-(3-methylbutyl)imidazo[4,5-b]pyridine
SMILESCC(C)CCn1cnc2ncccc21
InChIInChI=1S/C11H15N3/c1-9(2)5-7-14-8-13-11-10(14)4-3-6-12-11/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyTWSWGHLOLMZGOU-UHFFFAOYSA-N
XLogP2.48
TPSA30.71 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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)imidazo[4,5-b]pyridine?
The IUPAC name of 1-(3-methylbutyl)imidazo[4,5-b]pyridine (CID 20771991) is 1-(3-methylbutyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 1-(3-methylbutyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 1-(3-methylbutyl)imidazo[4,5-b]pyridine is CC(C)CCn1cnc2ncccc21.
What is the InChIKey of 1-(3-methylbutyl)imidazo[4,5-b]pyridine?
The InChIKey is TWSWGHLOLMZGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-9(2)5-7-14-8-13-11-10(14)4-3-6-12-11/h3-4,6,8-9H,5,7H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)imidazo[4,5-b]pyridine?
1-(3-methylbutyl)imidazo[4,5-b]pyridine has a molecular weight of 189.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 20771991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).