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

C12H14N2O2 — CID 10330988

IUPAC2-(3-methyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
SMILESCC1(C2=NCCN2)COc2ccccc2O1
InChIInChI=1S/C12H14N2O2/c1-12(11-13-6-7-14-11)8-15-9-4-2-3-5-10(9)16-12/h2-5H,6-8H2,1H3,(H,13,14)
InChIKeyZGEFIXIHFLIXCM-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.22
Rot. Bonds1

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

2-(3-methyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole (PubChem CID 10330988) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(3-methyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(3-methyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
PubChem CID10330988
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(3-methyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
SMILESCC1(C2=NCCN2)COc2ccccc2O1
InChIInChI=1S/C12H14N2O2/c1-12(11-13-6-7-14-11)8-15-9-4-2-3-5-10(9)16-12/h2-5H,6-8H2,1H3,(H,13,14)
InChIKeyZGEFIXIHFLIXCM-UHFFFAOYSA-N
XLogP1.22
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(3-methyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole (CID 10330988) is 2-(3-methyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(3-methyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(3-methyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole is CC1(C2=NCCN2)COc2ccccc2O1.
What is the InChIKey of 2-(3-methyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is ZGEFIXIHFLIXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-12(11-13-6-7-14-11)8-15-9-4-2-3-5-10(9)16-12/h2-5H,6-8H2,1H3,(H,13,14).
What are the key properties of 2-(3-methyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
2-(3-methyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 218.26 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10330988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).