2-butan-2-yl-5-tert-butyl-1H-imidazo[4,5-b]pyridine

C14H21N3 — CID 167252600

IUPAC2-butan-2-yl-5-tert-butyl-1H-imidazo[4,5-b]pyridine
SMILESCCC(C)c1nc2nc(C(C)(C)C)ccc2[nH]1
InChIInChI=1S/C14H21N3/c1-6-9(2)12-15-10-7-8-11(14(3,4)5)16-13(10)17-12/h7-9H,6H2,1-5H3,(H,15,16,17)
InChIKeyAIBJDZBUCXZBMG-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.77
Rot. Bonds2

About 2-butan-2-yl-5-tert-butyl-1H-imidazo[4,5-b]pyridine

2-butan-2-yl-5-tert-butyl-1H-imidazo[4,5-b]pyridine (PubChem CID 167252600) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-butan-2-yl-5-tert-butyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-butan-2-yl-5-tert-butyl-1H-imidazo[4,5-b]pyridine
PubChem CID167252600
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-butan-2-yl-5-tert-butyl-1H-imidazo[4,5-b]pyridine
SMILESCCC(C)c1nc2nc(C(C)(C)C)ccc2[nH]1
InChIInChI=1S/C14H21N3/c1-6-9(2)12-15-10-7-8-11(14(3,4)5)16-13(10)17-12/h7-9H,6H2,1-5H3,(H,15,16,17)
InChIKeyAIBJDZBUCXZBMG-UHFFFAOYSA-N
XLogP3.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-tert-butyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-butan-2-yl-5-tert-butyl-1H-imidazo[4,5-b]pyridine (CID 167252600) is 2-butan-2-yl-5-tert-butyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-butan-2-yl-5-tert-butyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-butan-2-yl-5-tert-butyl-1H-imidazo[4,5-b]pyridine is CCC(C)c1nc2nc(C(C)(C)C)ccc2[nH]1.
What is the InChIKey of 2-butan-2-yl-5-tert-butyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is AIBJDZBUCXZBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-6-9(2)12-15-10-7-8-11(14(3,4)5)16-13(10)17-12/h7-9H,6H2,1-5H3,(H,15,16,17).
What are the key properties of 2-butan-2-yl-5-tert-butyl-1H-imidazo[4,5-b]pyridine?
2-butan-2-yl-5-tert-butyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 231.34 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-tert-butyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 167252600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).