2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propan-2-ylimidazole

C15H18N2O2 — CID 12761768

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propan-2-ylimidazole
SMILESCC(C)n1ccnc1CC1COc2ccccc2O1
InChIInChI=1S/C15H18N2O2/c1-11(2)17-8-7-16-15(17)9-12-10-18-13-5-3-4-6-14(13)19-12/h3-8,11-12H,9-10H2,1-2H3
InChIKeyJPGOAMYWRDUQOC-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.85
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propan-2-ylimidazole

2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propan-2-ylimidazole (PubChem CID 12761768) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propan-2-ylimidazole
PubChem CID12761768
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propan-2-ylimidazole
SMILESCC(C)n1ccnc1CC1COc2ccccc2O1
InChIInChI=1S/C15H18N2O2/c1-11(2)17-8-7-16-15(17)9-12-10-18-13-5-3-4-6-14(13)19-12/h3-8,11-12H,9-10H2,1-2H3
InChIKeyJPGOAMYWRDUQOC-UHFFFAOYSA-N
XLogP2.85
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.85
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-ylmethyl)-1-propan-2-ylimidazole?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propan-2-ylimidazole (CID 12761768) is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propan-2-ylimidazole.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propan-2-ylimidazole?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propan-2-ylimidazole is CC(C)n1ccnc1CC1COc2ccccc2O1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propan-2-ylimidazole?
The InChIKey is JPGOAMYWRDUQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(2)17-8-7-16-15(17)9-12-10-18-13-5-3-4-6-14(13)19-12/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propan-2-ylimidazole?
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propan-2-ylimidazole has a molecular weight of 258.32 g/mol, XLogP of 2.85, 3 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-ylmethyl)-1-propan-2-ylimidazole is sourced from PubChem (CID 12761768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).