5-butyl-2-methyl-1H-imidazo[4,5-b]pyridine

C11H15N3 — CID 58118801

IUPAC5-butyl-2-methyl-1H-imidazo[4,5-b]pyridine
SMILESCCCCc1ccc2[nH]c(C)nc2n1
InChIInChI=1S/C11H15N3/c1-3-4-5-9-6-7-10-11(14-9)13-8(2)12-10/h6-7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyRKYRKECJEASJDI-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.61
Rot. Bonds3

About 5-butyl-2-methyl-1H-imidazo[4,5-b]pyridine

5-butyl-2-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 58118801) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-butyl-2-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-butyl-2-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID58118801
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name5-butyl-2-methyl-1H-imidazo[4,5-b]pyridine
SMILESCCCCc1ccc2[nH]c(C)nc2n1
InChIInChI=1S/C11H15N3/c1-3-4-5-9-6-7-10-11(14-9)13-8(2)12-10/h6-7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyRKYRKECJEASJDI-UHFFFAOYSA-N
XLogP2.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-butyl-2-methyl-1H-imidazo[4,5-b]pyridine (CID 58118801) is 5-butyl-2-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-butyl-2-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-butyl-2-methyl-1H-imidazo[4,5-b]pyridine is CCCCc1ccc2[nH]c(C)nc2n1.
What is the InChIKey of 5-butyl-2-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is RKYRKECJEASJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-3-4-5-9-6-7-10-11(14-9)13-8(2)12-10/h6-7H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 5-butyl-2-methyl-1H-imidazo[4,5-b]pyridine?
5-butyl-2-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 189.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 58118801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).