2-(1,3-benzodioxol-5-yl)-7-ethylimidazo[1,2-a]pyridine

C16H14N2O2 — CID 2812756

IUPAC2-(1,3-benzodioxol-5-yl)-7-ethylimidazo[1,2-a]pyridine
SMILESCCc1ccn2cc(-c3ccc4c(c3)OCO4)nc2c1
InChIInChI=1S/C16H14N2O2/c1-2-11-5-6-18-9-13(17-16(18)7-11)12-3-4-14-15(8-12)20-10-19-14/h3-9H,2,10H2,1H3
InChIKeyMBTMOASDDVMTLT-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.29
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-7-ethylimidazo[1,2-a]pyridine

2-(1,3-benzodioxol-5-yl)-7-ethylimidazo[1,2-a]pyridine (PubChem CID 2812756) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-7-ethylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-7-ethylimidazo[1,2-a]pyridine
PubChem CID2812756
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(1,3-benzodioxol-5-yl)-7-ethylimidazo[1,2-a]pyridine
SMILESCCc1ccn2cc(-c3ccc4c(c3)OCO4)nc2c1
InChIInChI=1S/C16H14N2O2/c1-2-11-5-6-18-9-13(17-16(18)7-11)12-3-4-14-15(8-12)20-10-19-14/h3-9H,2,10H2,1H3
InChIKeyMBTMOASDDVMTLT-UHFFFAOYSA-N
XLogP3.29
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-7-ethylimidazo[1,2-a]pyridine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-7-ethylimidazo[1,2-a]pyridine (CID 2812756) is 2-(1,3-benzodioxol-5-yl)-7-ethylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-7-ethylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-7-ethylimidazo[1,2-a]pyridine is CCc1ccn2cc(-c3ccc4c(c3)OCO4)nc2c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-7-ethylimidazo[1,2-a]pyridine?
The InChIKey is MBTMOASDDVMTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-11-5-6-18-9-13(17-16(18)7-11)12-3-4-14-15(8-12)20-10-19-14/h3-9H,2,10H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-7-ethylimidazo[1,2-a]pyridine?
2-(1,3-benzodioxol-5-yl)-7-ethylimidazo[1,2-a]pyridine has a molecular weight of 266.30 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-7-ethylimidazo[1,2-a]pyridine is sourced from PubChem (CID 2812756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).