2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-ethylimidazo[1,2-a]pyridine

C17H16N2O2 — CID 2812399

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-ethylimidazo[1,2-a]pyridine
SMILESCCc1ccn2cc(-c3ccc4c(c3)OCCO4)nc2c1
InChIInChI=1S/C17H16N2O2/c1-2-12-5-6-19-11-14(18-17(19)9-12)13-3-4-15-16(10-13)21-8-7-20-15/h3-6,9-11H,2,7-8H2,1H3
InChIKeyRVCQPIOEHRQFBV-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.33
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-ethylimidazo[1,2-a]pyridine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-ethylimidazo[1,2-a]pyridine (PubChem CID 2812399) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-ethylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-ethylimidazo[1,2-a]pyridine
PubChem CID2812399
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-ethylimidazo[1,2-a]pyridine
SMILESCCc1ccn2cc(-c3ccc4c(c3)OCCO4)nc2c1
InChIInChI=1S/C17H16N2O2/c1-2-12-5-6-19-11-14(18-17(19)9-12)13-3-4-15-16(10-13)21-8-7-20-15/h3-6,9-11H,2,7-8H2,1H3
InChIKeyRVCQPIOEHRQFBV-UHFFFAOYSA-N
XLogP3.33
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-ethylimidazo[1,2-a]pyridine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-ethylimidazo[1,2-a]pyridine (CID 2812399) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-ethylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-ethylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-ethylimidazo[1,2-a]pyridine is CCc1ccn2cc(-c3ccc4c(c3)OCCO4)nc2c1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-ethylimidazo[1,2-a]pyridine?
The InChIKey is RVCQPIOEHRQFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-12-5-6-19-11-14(18-17(19)9-12)13-3-4-15-16(10-13)21-8-7-20-15/h3-6,9-11H,2,7-8H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-ethylimidazo[1,2-a]pyridine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-ethylimidazo[1,2-a]pyridine has a molecular weight of 280.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-ethylimidazo[1,2-a]pyridine is sourced from PubChem (CID 2812399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).