1-oxido-1H-benzimidazol-1-ium

C7H6N2O — CID 22923223

IUPAC1-oxido-1H-benzimidazol-1-ium
SMILES[O-][NH+]1C=Nc2ccccc21
InChIInChI=1S/C7H6N2O/c10-9-5-8-6-3-1-2-4-7(6)9/h1-5,9H
InChIKeyZIORZBLFHBAFLD-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.37
Rot. Bonds

About 1-oxido-1H-benzimidazol-1-ium

1-oxido-1H-benzimidazol-1-ium (PubChem CID 22923223) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 1-oxido-1H-benzimidazol-1-ium.

Molecular Properties

Compound Name1-oxido-1H-benzimidazol-1-ium
PubChem CID22923223
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name1-oxido-1H-benzimidazol-1-ium
SMILES[O-][NH+]1C=Nc2ccccc21
InChIInChI=1S/C7H6N2O/c10-9-5-8-6-3-1-2-4-7(6)9/h1-5,9H
InChIKeyZIORZBLFHBAFLD-UHFFFAOYSA-N
XLogP0.37
TPSA39.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxido-1H-benzimidazol-1-ium?
The IUPAC name of 1-oxido-1H-benzimidazol-1-ium (CID 22923223) is 1-oxido-1H-benzimidazol-1-ium.
What is the SMILES notation for 1-oxido-1H-benzimidazol-1-ium?
The canonical SMILES for 1-oxido-1H-benzimidazol-1-ium is [O-][NH+]1C=Nc2ccccc21.
What is the InChIKey of 1-oxido-1H-benzimidazol-1-ium?
The InChIKey is ZIORZBLFHBAFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c10-9-5-8-6-3-1-2-4-7(6)9/h1-5,9H.
What are the key properties of 1-oxido-1H-benzimidazol-1-ium?
1-oxido-1H-benzimidazol-1-ium has a molecular weight of 134.14 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-1H-benzimidazol-1-ium is sourced from PubChem (CID 22923223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).