2-[2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline

C16H18N4O — CID 107272695

IUPAC2-[2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline
SMILESCCOc1ccc2[nH]c(CCc3ccccc3N)nc2n1
InChIInChI=1S/C16H18N4O/c1-2-21-15-10-8-13-16(20-15)19-14(18-13)9-7-11-5-3-4-6-12(11)17/h3-6,8,10H,2,7,9,17H2,1H3,(H,18,19,20)
InChIKeyQBHXSBOYNKKUHJ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.72
Rot. Bonds5

About 2-[2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline

2-[2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline (PubChem CID 107272695) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline
PubChem CID107272695
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-[2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline
SMILESCCOc1ccc2[nH]c(CCc3ccccc3N)nc2n1
InChIInChI=1S/C16H18N4O/c1-2-21-15-10-8-13-16(20-15)19-14(18-13)9-7-11-5-3-4-6-12(11)17/h3-6,8,10H,2,7,9,17H2,1H3,(H,18,19,20)
InChIKeyQBHXSBOYNKKUHJ-UHFFFAOYSA-N
XLogP2.72
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline?
The IUPAC name of 2-[2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline (CID 107272695) is 2-[2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline.
What is the SMILES notation for 2-[2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline?
The canonical SMILES for 2-[2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline is CCOc1ccc2[nH]c(CCc3ccccc3N)nc2n1.
What is the InChIKey of 2-[2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline?
The InChIKey is QBHXSBOYNKKUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-21-15-10-8-13-16(20-15)19-14(18-13)9-7-11-5-3-4-6-12(11)17/h3-6,8,10H,2,7,9,17H2,1H3,(H,18,19,20).
What are the key properties of 2-[2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline?
2-[2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline has a molecular weight of 282.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline is sourced from PubChem (CID 107272695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).