3,4-diethylimidazo[1,2-a]pyridin-4-ium

C11H15N2+ — CID 22909639

IUPAC3,4-diethylimidazo[1,2-a]pyridin-4-ium
SMILESCCC1=CN=C2C=CC=C[N+]12CC
InChIInChI=1S/C11H15N2/c1-3-10-9-12-11-7-5-6-8-13(10,11)4-2/h5-9H,3-4H2,1-2H3/q+1
InChIKeyYSHJIIGLBVAQGZ-UHFFFAOYSA-N
MW175.25 g/mol
LogP2.57
Rot. Bonds2

About 3,4-diethylimidazo[1,2-a]pyridin-4-ium

3,4-diethylimidazo[1,2-a]pyridin-4-ium (PubChem CID 22909639) has the molecular formula C11H15N2+ and a molecular weight of 175.25 g/mol. Its IUPAC name is 3,4-diethylimidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name3,4-diethylimidazo[1,2-a]pyridin-4-ium
PubChem CID22909639
Molecular FormulaC11H15N2+
Molecular Weight175.25 g/mol
Exact Mass175.12
IUPAC Name3,4-diethylimidazo[1,2-a]pyridin-4-ium
SMILESCCC1=CN=C2C=CC=C[N+]12CC
InChIInChI=1S/C11H15N2/c1-3-10-9-12-11-7-5-6-8-13(10,11)4-2/h5-9H,3-4H2,1-2H3/q+1
InChIKeyYSHJIIGLBVAQGZ-UHFFFAOYSA-N
XLogP2.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethylimidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 3,4-diethylimidazo[1,2-a]pyridin-4-ium (CID 22909639) is 3,4-diethylimidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 3,4-diethylimidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 3,4-diethylimidazo[1,2-a]pyridin-4-ium is CCC1=CN=C2C=CC=C[N+]12CC.
What is the InChIKey of 3,4-diethylimidazo[1,2-a]pyridin-4-ium?
The InChIKey is YSHJIIGLBVAQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2/c1-3-10-9-12-11-7-5-6-8-13(10,11)4-2/h5-9H,3-4H2,1-2H3/q+1.
What are the key properties of 3,4-diethylimidazo[1,2-a]pyridin-4-ium?
3,4-diethylimidazo[1,2-a]pyridin-4-ium has a molecular weight of 175.25 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylimidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 22909639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).