4-hydroxybenzimidazol-2-one

C7H4N2O2 — CID 135581587

IUPAC4-hydroxybenzimidazol-2-one
SMILESO=C1N=c2cccc(O)c2=N1
InChIInChI=1S/C7H4N2O2/c10-5-3-1-2-4-6(5)9-7(11)8-4/h1-3,10H
InChIKeyIIZBJGFAJYUHQI-UHFFFAOYSA-N
MW148.12 g/mol
LogP-0.23
Rot. Bonds

About 4-hydroxybenzimidazol-2-one

4-hydroxybenzimidazol-2-one (PubChem CID 135581587) has the molecular formula C7H4N2O2 and a molecular weight of 148.12 g/mol. Its IUPAC name is 4-hydroxybenzimidazol-2-one.

Molecular Properties

Compound Name4-hydroxybenzimidazol-2-one
PubChem CID135581587
Molecular FormulaC7H4N2O2
Molecular Weight148.12 g/mol
Exact Mass148.03
IUPAC Name4-hydroxybenzimidazol-2-one
SMILESO=C1N=c2cccc(O)c2=N1
InChIInChI=1S/C7H4N2O2/c10-5-3-1-2-4-6(5)9-7(11)8-4/h1-3,10H
InChIKeyIIZBJGFAJYUHQI-UHFFFAOYSA-N
XLogP-0.23
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-hydroxybenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzimidazol-2-one?
The IUPAC name of 4-hydroxybenzimidazol-2-one (CID 135581587) is 4-hydroxybenzimidazol-2-one.
What is the SMILES notation for 4-hydroxybenzimidazol-2-one?
The canonical SMILES for 4-hydroxybenzimidazol-2-one is O=C1N=c2cccc(O)c2=N1.
What is the InChIKey of 4-hydroxybenzimidazol-2-one?
The InChIKey is IIZBJGFAJYUHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O2/c10-5-3-1-2-4-6(5)9-7(11)8-4/h1-3,10H.
What are the key properties of 4-hydroxybenzimidazol-2-one?
4-hydroxybenzimidazol-2-one has a molecular weight of 148.12 g/mol, XLogP of -0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzimidazol-2-one is sourced from PubChem (CID 135581587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).