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

C16H17N3O — CID 79815456

IUPAC2-(2,4-dimethylphenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine
SMILESCCOc1ccc2[nH]c(-c3ccc(C)cc3C)nc2n1
InChIInChI=1S/C16H17N3O/c1-4-20-14-8-7-13-16(18-14)19-15(17-13)12-6-5-10(2)9-11(12)3/h5-9H,4H2,1-3H3,(H,17,18,19)
InChIKeyJJXVQINEXHWWEQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.64
Rot. Bonds3

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

2-(2,4-dimethylphenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine (PubChem CID 79815456) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine
PubChem CID79815456
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(2,4-dimethylphenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine
SMILESCCOc1ccc2[nH]c(-c3ccc(C)cc3C)nc2n1
InChIInChI=1S/C16H17N3O/c1-4-20-14-8-7-13-16(18-14)19-15(17-13)12-6-5-10(2)9-11(12)3/h5-9H,4H2,1-3H3,(H,17,18,19)
InChIKeyJJXVQINEXHWWEQ-UHFFFAOYSA-N
XLogP3.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2,4-dimethylphenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine (CID 79815456) is 2-(2,4-dimethylphenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine is CCOc1ccc2[nH]c(-c3ccc(C)cc3C)nc2n1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine?
The InChIKey is JJXVQINEXHWWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-4-20-14-8-7-13-16(18-14)19-15(17-13)12-6-5-10(2)9-11(12)3/h5-9H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(2,4-dimethylphenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine?
2-(2,4-dimethylphenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine has a molecular weight of 267.33 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 79815456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).