2-(2-butoxyphenyl)-1H-imidazo[4,5-b]pyridine

C16H17N3O — CID 10423102

IUPAC2-(2-butoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCCCCOc1ccccc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C16H17N3O/c1-2-3-11-20-14-9-5-4-7-12(14)15-18-13-8-6-10-17-16(13)19-15/h4-10H,2-3,11H2,1H3,(H,17,18,19)
InChIKeyKRERIEJRCQLQLV-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.80
Rot. Bonds5

About 2-(2-butoxyphenyl)-1H-imidazo[4,5-b]pyridine

2-(2-butoxyphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 10423102) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2-butoxyphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-butoxyphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID10423102
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(2-butoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCCCCOc1ccccc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C16H17N3O/c1-2-3-11-20-14-9-5-4-7-12(14)15-18-13-8-6-10-17-16(13)19-15/h4-10H,2-3,11H2,1H3,(H,17,18,19)
InChIKeyKRERIEJRCQLQLV-UHFFFAOYSA-N
XLogP3.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-butoxyphenyl)-1H-imidazo[4,5-b]pyridine (CID 10423102) is 2-(2-butoxyphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-butoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-butoxyphenyl)-1H-imidazo[4,5-b]pyridine is CCCCOc1ccccc1-c1nc2ncccc2[nH]1.
What is the InChIKey of 2-(2-butoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is KRERIEJRCQLQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-3-11-20-14-9-5-4-7-12(14)15-18-13-8-6-10-17-16(13)19-15/h4-10H,2-3,11H2,1H3,(H,17,18,19).
What are the key properties of 2-(2-butoxyphenyl)-1H-imidazo[4,5-b]pyridine?
2-(2-butoxyphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 267.33 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 10423102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).