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

C13H19N3 — CID 130438978

IUPAC6-tert-butyl-5-propan-2-yl-1H-imidazo[4,5-b]pyridine
SMILESCC(C)c1nc2nc[nH]c2cc1C(C)(C)C
InChIInChI=1S/C13H19N3/c1-8(2)11-9(13(3,4)5)6-10-12(16-11)15-7-14-10/h6-8H,1-5H3,(H,14,15,16)
InChIKeyYXHBILNIILGNLM-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.38
Rot. Bonds1

About 6-tert-butyl-5-propan-2-yl-1H-imidazo[4,5-b]pyridine

6-tert-butyl-5-propan-2-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 130438978) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 6-tert-butyl-5-propan-2-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-tert-butyl-5-propan-2-yl-1H-imidazo[4,5-b]pyridine
PubChem CID130438978
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name6-tert-butyl-5-propan-2-yl-1H-imidazo[4,5-b]pyridine
SMILESCC(C)c1nc2nc[nH]c2cc1C(C)(C)C
InChIInChI=1S/C13H19N3/c1-8(2)11-9(13(3,4)5)6-10-12(16-11)15-7-14-10/h6-8H,1-5H3,(H,14,15,16)
InChIKeyYXHBILNIILGNLM-UHFFFAOYSA-N
XLogP3.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methylsulfanyl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
CID 150752958
5-tert-butyl-2,4-di(propan-2-yl)pyrimidine
CID 176827560
2-(2,2-dimethylpropoxy)-7H-purine
CID 68938399
5,6-diethyl-1H-imidazo[4,5-b]pyridine
CID 89128817
6-tert-butyl-5-(tritiooxydisulfanyl)-1H-benzimidazole
CID 59043005
N-[1-(1H-imidazo[4,5-b]pyridin-5-yl)propyl]-2-methylpropan-2-amine
CID 22359695
5-(2-methylpropyl)-1H-imidazo[4,5-b]pyridine
CID 130420830
6-bromo-5-chloro-1H-imidazo[4,5-b]pyridine
CID 12782385
4-tert-butyl-5-propan-2-yl-1H-imidazole
CID 59706661
molecular hydrogen;6-propan-2-yl-7H-purine
CID 171499387
2-chloro-7H-purine;hydrobromide
CID 172776309
ethane;5-methyl-4-propan-2-yl-1H-imidazole
CID 170617966

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-propan-2-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-tert-butyl-5-propan-2-yl-1H-imidazo[4,5-b]pyridine (CID 130438978) is 6-tert-butyl-5-propan-2-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-tert-butyl-5-propan-2-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-tert-butyl-5-propan-2-yl-1H-imidazo[4,5-b]pyridine is CC(C)c1nc2nc[nH]c2cc1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-5-propan-2-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is YXHBILNIILGNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-8(2)11-9(13(3,4)5)6-10-12(16-11)15-7-14-10/h6-8H,1-5H3,(H,14,15,16).
What are the key properties of 6-tert-butyl-5-propan-2-yl-1H-imidazo[4,5-b]pyridine?
6-tert-butyl-5-propan-2-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 217.32 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-propan-2-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 130438978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).