[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-imidazol-5-yl]methanol

C12H12N2O3 — CID 65351596

IUPAC[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-imidazol-5-yl]methanol
SMILESOCc1cnc(C2COc3ccccc3O2)[nH]1
InChIInChI=1S/C12H12N2O3/c15-6-8-5-13-12(14-8)11-7-16-9-3-1-2-4-10(9)17-11/h1-5,11,15H,6-7H2,(H,13,14)
InChIKeyGDALTHMKIOSXTL-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.41
Rot. Bonds2

About [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-imidazol-5-yl]methanol

[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-imidazol-5-yl]methanol (PubChem CID 65351596) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-imidazol-5-yl]methanol
PubChem CID65351596
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-imidazol-5-yl]methanol
SMILESOCc1cnc(C2COc3ccccc3O2)[nH]1
InChIInChI=1S/C12H12N2O3/c15-6-8-5-13-12(14-8)11-7-16-9-3-1-2-4-10(9)17-11/h1-5,11,15H,6-7H2,(H,13,14)
InChIKeyGDALTHMKIOSXTL-UHFFFAOYSA-N
XLogP1.41
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475236
8-(2,3-dihydro-1,4-benzodioxin-3-yl)-7H-purine
CID 114402597
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]methanol
CID 65351888
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477522
5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106479431
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole
CID 60978794
CID 169153769
CID 169153769
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004144
6-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole
CID 20561733
6-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-pyrimidine-4-thione
CID 106475996
methyl 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 99799761
methyl 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
CID 136882816

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-imidazol-5-yl]methanol (CID 65351596) is [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-imidazol-5-yl]methanol is OCc1cnc(C2COc3ccccc3O2)[nH]1.
What is the InChIKey of [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-imidazol-5-yl]methanol?
The InChIKey is GDALTHMKIOSXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-6-8-5-13-12(14-8)11-7-16-9-3-1-2-4-10(9)17-11/h1-5,11,15H,6-7H2,(H,13,14).
What are the key properties of [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-imidazol-5-yl]methanol?
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-imidazol-5-yl]methanol has a molecular weight of 232.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 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)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 65351596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).