1-hydroxy-2-iodoimidazole

C3H3IN2O — CID 83382803

IUPAC1-hydroxy-2-iodoimidazole
SMILESOn1ccnc1I
InChIInChI=1S/C3H3IN2O/c4-3-5-1-2-6(3)7/h1-2,7H
InChIKeyXIZBEPNIZJVZGE-UHFFFAOYSA-N
MW209.97 g/mol
LogP0.73
Rot. Bonds

About 1-hydroxy-2-iodoimidazole

1-hydroxy-2-iodoimidazole (PubChem CID 83382803) has the molecular formula C3H3IN2O and a molecular weight of 209.97 g/mol. Its IUPAC name is 1-hydroxy-2-iodoimidazole.

Molecular Properties

Compound Name1-hydroxy-2-iodoimidazole
PubChem CID83382803
Molecular FormulaC3H3IN2O
Molecular Weight209.97 g/mol
Exact Mass209.93
IUPAC Name1-hydroxy-2-iodoimidazole
SMILESOn1ccnc1I
InChIInChI=1S/C3H3IN2O/c4-3-5-1-2-6(3)7/h1-2,7H
InChIKeyXIZBEPNIZJVZGE-UHFFFAOYSA-N
XLogP0.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.97
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 1-hydroxy-2-iodoimidazole 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 1-hydroxy-2-iodoimidazole?
The IUPAC name of 1-hydroxy-2-iodoimidazole (CID 83382803) is 1-hydroxy-2-iodoimidazole.
What is the SMILES notation for 1-hydroxy-2-iodoimidazole?
The canonical SMILES for 1-hydroxy-2-iodoimidazole is On1ccnc1I.
What is the InChIKey of 1-hydroxy-2-iodoimidazole?
The InChIKey is XIZBEPNIZJVZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3IN2O/c4-3-5-1-2-6(3)7/h1-2,7H.
What are the key properties of 1-hydroxy-2-iodoimidazole?
1-hydroxy-2-iodoimidazole has a molecular weight of 209.97 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-iodoimidazole is sourced from PubChem (CID 83382803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).