1-hydroxybenzimidazole;hydrate

C7H8N2O2 — CID 22048229

IUPAC1-hydroxybenzimidazole;hydrate
SMILESO.On1cnc2ccccc21
InChIInChI=1S/C7H6N2O.H2O/c10-9-5-8-6-3-1-2-4-7(6)9;/h1-5,10H;1H2
InChIKeyKHPHNSRBACPNOZ-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.45
Rot. Bonds

About 1-hydroxybenzimidazole;hydrate

1-hydroxybenzimidazole;hydrate (PubChem CID 22048229) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 1-hydroxybenzimidazole;hydrate.

Molecular Properties

Compound Name1-hydroxybenzimidazole;hydrate
PubChem CID22048229
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name1-hydroxybenzimidazole;hydrate
SMILESO.On1cnc2ccccc21
InChIInChI=1S/C7H6N2O.H2O/c10-9-5-8-6-3-1-2-4-7(6)9;/h1-5,10H;1H2
InChIKeyKHPHNSRBACPNOZ-UHFFFAOYSA-N
XLogP0.45
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxybenzimidazole;hydrate?
The IUPAC name of 1-hydroxybenzimidazole;hydrate (CID 22048229) is 1-hydroxybenzimidazole;hydrate.
What is the SMILES notation for 1-hydroxybenzimidazole;hydrate?
The canonical SMILES for 1-hydroxybenzimidazole;hydrate is O.On1cnc2ccccc21.
What is the InChIKey of 1-hydroxybenzimidazole;hydrate?
The InChIKey is KHPHNSRBACPNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O.H2O/c10-9-5-8-6-3-1-2-4-7(6)9;/h1-5,10H;1H2.
What are the key properties of 1-hydroxybenzimidazole;hydrate?
1-hydroxybenzimidazole;hydrate has a molecular weight of 152.15 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxybenzimidazole;hydrate is sourced from PubChem (CID 22048229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).