benzimidazol-1-yloxyboronic acid

C7H7BN2O3 — CID 160806314

IUPACbenzimidazol-1-yloxyboronic acid
SMILESOB(O)On1cnc2ccccc21
InChIInChI=1S/C7H7BN2O3/c11-8(12)13-10-5-9-6-3-1-2-4-7(6)10/h1-5,11-12H
InChIKeyVBZSVIWPUYLJRR-UHFFFAOYSA-N
MW177.96 g/mol
LogP-0.57
Rot. Bonds2

About benzimidazol-1-yloxyboronic acid

benzimidazol-1-yloxyboronic acid (PubChem CID 160806314) has the molecular formula C7H7BN2O3 and a molecular weight of 177.96 g/mol. Its IUPAC name is benzimidazol-1-yloxyboronic acid.

Molecular Properties

Compound Namebenzimidazol-1-yloxyboronic acid
PubChem CID160806314
Molecular FormulaC7H7BN2O3
Molecular Weight177.96 g/mol
Exact Mass178.05
IUPAC Namebenzimidazol-1-yloxyboronic acid
SMILESOB(O)On1cnc2ccccc21
InChIInChI=1S/C7H7BN2O3/c11-8(12)13-10-5-9-6-3-1-2-4-7(6)10/h1-5,11-12H
InChIKeyVBZSVIWPUYLJRR-UHFFFAOYSA-N
XLogP-0.57
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.96
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzimidazol-1-yloxyboronic acid?
The IUPAC name of benzimidazol-1-yloxyboronic acid (CID 160806314) is benzimidazol-1-yloxyboronic acid.
What is the SMILES notation for benzimidazol-1-yloxyboronic acid?
The canonical SMILES for benzimidazol-1-yloxyboronic acid is OB(O)On1cnc2ccccc21.
What is the InChIKey of benzimidazol-1-yloxyboronic acid?
The InChIKey is VBZSVIWPUYLJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BN2O3/c11-8(12)13-10-5-9-6-3-1-2-4-7(6)10/h1-5,11-12H.
What are the key properties of benzimidazol-1-yloxyboronic acid?
benzimidazol-1-yloxyboronic acid has a molecular weight of 177.96 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazol-1-yloxyboronic acid is sourced from PubChem (CID 160806314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).