2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-ethylimidazole

C13H14N2O2 — CID 13393069

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-ethylimidazole
SMILESCCn1ccnc1C1COc2ccccc2O1
InChIInChI=1S/C13H14N2O2/c1-2-15-8-7-14-13(15)12-9-16-10-5-3-4-6-11(10)17-12/h3-8,12H,2,9H2,1H3
InChIKeyBLZOWUNQHKBMTA-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.42
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-ethylimidazole

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-ethylimidazole (PubChem CID 13393069) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-ethylimidazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-ethylimidazole
PubChem CID13393069
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-ethylimidazole
SMILESCCn1ccnc1C1COc2ccccc2O1
InChIInChI=1S/C13H14N2O2/c1-2-15-8-7-14-13(15)12-9-16-10-5-3-4-6-11(10)17-12/h3-8,12H,2,9H2,1H3
InChIKeyBLZOWUNQHKBMTA-UHFFFAOYSA-N
XLogP2.42
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.42
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-3-yl)-1-ethylimidazole?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-ethylimidazole (CID 13393069) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-ethylimidazole.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-ethylimidazole?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-ethylimidazole is CCn1ccnc1C1COc2ccccc2O1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-ethylimidazole?
The InChIKey is BLZOWUNQHKBMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-15-8-7-14-13(15)12-9-16-10-5-3-4-6-11(10)17-12/h3-8,12H,2,9H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-ethylimidazole?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-ethylimidazole has a molecular weight of 230.27 g/mol, XLogP of 2.42, 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-3-yl)-1-ethylimidazole is sourced from PubChem (CID 13393069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).