2-(3-ethyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole

C13H16N2O2 — CID 10014164

IUPAC2-(3-ethyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
SMILESCCC1(C2=NCCN2)COc2ccccc2O1
InChIInChI=1S/C13H16N2O2/c1-2-13(12-14-7-8-15-12)9-16-10-5-3-4-6-11(10)17-13/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyGPTOXCFVXXUZSO-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.61
Rot. Bonds2

About 2-(3-ethyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole

2-(3-ethyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole (PubChem CID 10014164) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(3-ethyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(3-ethyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
PubChem CID10014164
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(3-ethyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
SMILESCCC1(C2=NCCN2)COc2ccccc2O1
InChIInChI=1S/C13H16N2O2/c1-2-13(12-14-7-8-15-12)9-16-10-5-3-4-6-11(10)17-13/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyGPTOXCFVXXUZSO-UHFFFAOYSA-N
XLogP1.61
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(3-ethyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole (CID 10014164) is 2-(3-ethyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(3-ethyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(3-ethyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole is CCC1(C2=NCCN2)COc2ccccc2O1.
What is the InChIKey of 2-(3-ethyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is GPTOXCFVXXUZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-13(12-14-7-8-15-12)9-16-10-5-3-4-6-11(10)17-13/h3-6H,2,7-9H2,1H3,(H,14,15).
What are the key properties of 2-(3-ethyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
2-(3-ethyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 232.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10014164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).