1-(1-hydroxybenzimidazol-2-yl)ethanol

C9H10N2O2 — CID 83387830

IUPAC1-(1-hydroxybenzimidazol-2-yl)ethanol
SMILESCC(O)c1nc2ccccc2n1O
InChIInChI=1S/C9H10N2O2/c1-6(12)9-10-7-4-2-3-5-8(7)11(9)13/h2-6,12-13H,1H3
InChIKeyJZMLWJDILXDXHY-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.33
Rot. Bonds1

About 1-(1-hydroxybenzimidazol-2-yl)ethanol

1-(1-hydroxybenzimidazol-2-yl)ethanol (PubChem CID 83387830) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-(1-hydroxybenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-hydroxybenzimidazol-2-yl)ethanol
PubChem CID83387830
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-(1-hydroxybenzimidazol-2-yl)ethanol
SMILESCC(O)c1nc2ccccc2n1O
InChIInChI=1S/C9H10N2O2/c1-6(12)9-10-7-4-2-3-5-8(7)11(9)13/h2-6,12-13H,1H3
InChIKeyJZMLWJDILXDXHY-UHFFFAOYSA-N
XLogP1.33
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybenzimidazol-2-yl)ethanol?
The IUPAC name of 1-(1-hydroxybenzimidazol-2-yl)ethanol (CID 83387830) is 1-(1-hydroxybenzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(1-hydroxybenzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(1-hydroxybenzimidazol-2-yl)ethanol is CC(O)c1nc2ccccc2n1O.
What is the InChIKey of 1-(1-hydroxybenzimidazol-2-yl)ethanol?
The InChIKey is JZMLWJDILXDXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6(12)9-10-7-4-2-3-5-8(7)11(9)13/h2-6,12-13H,1H3.
What are the key properties of 1-(1-hydroxybenzimidazol-2-yl)ethanol?
1-(1-hydroxybenzimidazol-2-yl)ethanol has a molecular weight of 178.19 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybenzimidazol-2-yl)ethanol is sourced from PubChem (CID 83387830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).