1-hydroxybenzimidazol-5-ol

C7H6N2O2 — CID 118518300

IUPAC1-hydroxybenzimidazol-5-ol
SMILESOc1ccc2c(c1)ncn2O
InChIInChI=1S/C7H6N2O2/c10-5-1-2-7-6(3-5)8-4-9(7)11/h1-4,10-11H
InChIKeyOENQNXDDYRYYIP-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.98
Rot. Bonds

About 1-hydroxybenzimidazol-5-ol

1-hydroxybenzimidazol-5-ol (PubChem CID 118518300) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 1-hydroxybenzimidazol-5-ol.

Molecular Properties

Compound Name1-hydroxybenzimidazol-5-ol
PubChem CID118518300
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name1-hydroxybenzimidazol-5-ol
SMILESOc1ccc2c(c1)ncn2O
InChIInChI=1S/C7H6N2O2/c10-5-1-2-7-6(3-5)8-4-9(7)11/h1-4,10-11H
InChIKeyOENQNXDDYRYYIP-UHFFFAOYSA-N
XLogP0.98
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.98
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-hydroxybenzimidazol-5-ol?
The IUPAC name of 1-hydroxybenzimidazol-5-ol (CID 118518300) is 1-hydroxybenzimidazol-5-ol.
What is the SMILES notation for 1-hydroxybenzimidazol-5-ol?
The canonical SMILES for 1-hydroxybenzimidazol-5-ol is Oc1ccc2c(c1)ncn2O.
What is the InChIKey of 1-hydroxybenzimidazol-5-ol?
The InChIKey is OENQNXDDYRYYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c10-5-1-2-7-6(3-5)8-4-9(7)11/h1-4,10-11H.
What are the key properties of 1-hydroxybenzimidazol-5-ol?
1-hydroxybenzimidazol-5-ol has a molecular weight of 150.14 g/mol, XLogP of 0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxybenzimidazol-5-ol is sourced from PubChem (CID 118518300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).