[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]methanol

C16H14N2O3 — CID 50965548

IUPAC[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]methanol
SMILESOCc1nc2ccc(-c3ccc4c(c3)OCCO4)cc2[nH]1
InChIInChI=1S/C16H14N2O3/c19-9-16-17-12-3-1-10(7-13(12)18-16)11-2-4-14-15(8-11)21-6-5-20-14/h1-4,7-8,19H,5-6,9H2,(H,17,18)
InChIKeyOBLHYQNJWIXGQL-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.49
Rot. Bonds2

About [6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]methanol

[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]methanol (PubChem CID 50965548) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is [6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]methanol
PubChem CID50965548
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]methanol
SMILESOCc1nc2ccc(-c3ccc4c(c3)OCCO4)cc2[nH]1
InChIInChI=1S/C16H14N2O3/c19-9-16-17-12-3-1-10(7-13(12)18-16)11-2-4-14-15(8-11)21-6-5-20-14/h1-4,7-8,19H,5-6,9H2,(H,17,18)
InChIKeyOBLHYQNJWIXGQL-UHFFFAOYSA-N
XLogP2.49
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]methanol?
The IUPAC name of [6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]methanol (CID 50965548) is [6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]methanol.
What is the SMILES notation for [6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]methanol?
The canonical SMILES for [6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]methanol is OCc1nc2ccc(-c3ccc4c(c3)OCCO4)cc2[nH]1.
What is the InChIKey of [6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]methanol?
The InChIKey is OBLHYQNJWIXGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-9-16-17-12-3-1-10(7-13(12)18-16)11-2-4-14-15(8-11)21-6-5-20-14/h1-4,7-8,19H,5-6,9H2,(H,17,18).
What are the key properties of [6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]methanol?
[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]methanol has a molecular weight of 282.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]methanol is sourced from PubChem (CID 50965548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).