3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyridine

C17H16N2O2 — CID 114933699

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyridine
SMILESCc1cc(C)n2c(-c3ccc4c(c3)OCCO4)cnc2c1
InChIInChI=1S/C17H16N2O2/c1-11-7-12(2)19-14(10-18-17(19)8-11)13-3-4-15-16(9-13)21-6-5-20-15/h3-4,7-10H,5-6H2,1-2H3
InChIKeyUBOFYHLIRCIMIJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.39
Rot. Bonds1

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyridine

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyridine (PubChem CID 114933699) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyridine
PubChem CID114933699
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyridine
SMILESCc1cc(C)n2c(-c3ccc4c(c3)OCCO4)cnc2c1
InChIInChI=1S/C17H16N2O2/c1-11-7-12(2)19-14(10-18-17(19)8-11)13-3-4-15-16(9-13)21-6-5-20-15/h3-4,7-10H,5-6H2,1-2H3
InChIKeyUBOFYHLIRCIMIJ-UHFFFAOYSA-N
XLogP3.39
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5,7-dimethylimidazo[1,2-a]pyridin-3-yl)morpholine
CID 3531216
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole
CID 82127137
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylphenyl)pyrazole-3-carbonitrile
CID 94962081
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazine
CID 163318298
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine
CID 82477974
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine
CID 116903863
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66508181
3-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methyl]imidazo[1,2-b]pyridazine
CID 71768283
6-(3-ethenyl-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine
CID 172650802
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-bis(4-methylphenyl)pyridazine
CID 18874646

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyridine?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyridine (CID 114933699) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyridine is Cc1cc(C)n2c(-c3ccc4c(c3)OCCO4)cnc2c1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyridine?
The InChIKey is UBOFYHLIRCIMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-7-12(2)19-14(10-18-17(19)8-11)13-3-4-15-16(9-13)21-6-5-20-15/h3-4,7-10H,5-6H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyridine?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyridine has a molecular weight of 280.33 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyridine is sourced from PubChem (CID 114933699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).