3-undecan-4-ylimidazo[4,5-b]pyridine

C17H27N3 — CID 138744361

IUPAC3-undecan-4-ylimidazo[4,5-b]pyridine
SMILESCCCCCCCC(CCC)n1cnc2cccnc21
InChIInChI=1S/C17H27N3/c1-3-5-6-7-8-11-15(10-4-2)20-14-19-16-12-9-13-18-17(16)20/h9,12-15H,3-8,10-11H2,1-2H3
InChIKeyUEJMAQIYHJCMIG-UHFFFAOYSA-N
MW273.42 g/mol
LogP5.13
Rot. Bonds9

About 3-undecan-4-ylimidazo[4,5-b]pyridine

3-undecan-4-ylimidazo[4,5-b]pyridine (PubChem CID 138744361) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-undecan-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-undecan-4-ylimidazo[4,5-b]pyridine
PubChem CID138744361
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-undecan-4-ylimidazo[4,5-b]pyridine
SMILESCCCCCCCC(CCC)n1cnc2cccnc21
InChIInChI=1S/C17H27N3/c1-3-5-6-7-8-11-15(10-4-2)20-14-19-16-12-9-13-18-17(16)20/h9,12-15H,3-8,10-11H2,1-2H3
InChIKeyUEJMAQIYHJCMIG-UHFFFAOYSA-N
XLogP5.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.42
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-octan-3-ylbenzimidazole
CID 57027329
N,N-dimethyl-9-undecan-4-ylpurin-6-amine
CID 137470783
sodium;hydride;1-(1-phenyloctadecan-2-yl)benzimidazole
CID 173372966
3-octan-4-ylbenzimidazole-4-carboxylic acid
CID 106020665
2-decan-5-ylbenzotriazole
CID 10264563
N-methyl-9-tetradecan-7-ylpurin-6-amine
CID 154963905
2-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine
CID 79294169
2-(benzimidazol-1-yl)pentan-1-amine
CID 83046427
1-octan-4-ylbenzimidazole-5-carboxylic acid
CID 106020672
1-heptan-2-yl-3-methylpyrazolo[5,4-b]pyridine
CID 139448072
2-amino-9-tetradecan-7-yl-1H-purin-6-one
CID 137034322
1-(2-heptadecylicosyl)benzimidazole
CID 59202249

Frequently Asked Questions

What is the IUPAC name of 3-undecan-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-undecan-4-ylimidazo[4,5-b]pyridine (CID 138744361) is 3-undecan-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-undecan-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-undecan-4-ylimidazo[4,5-b]pyridine is CCCCCCCC(CCC)n1cnc2cccnc21.
What is the InChIKey of 3-undecan-4-ylimidazo[4,5-b]pyridine?
The InChIKey is UEJMAQIYHJCMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-5-6-7-8-11-15(10-4-2)20-14-19-16-12-9-13-18-17(16)20/h9,12-15H,3-8,10-11H2,1-2H3.
What are the key properties of 3-undecan-4-ylimidazo[4,5-b]pyridine?
3-undecan-4-ylimidazo[4,5-b]pyridine has a molecular weight of 273.42 g/mol, XLogP of 5.13, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undecan-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 138744361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).