2-iodoimidazol-2-ylium

C3H2IN2+ — CID 91175399

IUPAC2-iodoimidazol-2-ylium
SMILESI[C+]1N=CC=N1
InChIInChI=1S/C3H2IN2/c4-3-5-1-2-6-3/h1-2H/q+1
InChIKeyOXXJDKBHZFKXOB-UHFFFAOYSA-N
MW192.97 g/mol
LogP1.02
Rot. Bonds

About 2-iodoimidazol-2-ylium

2-iodoimidazol-2-ylium (PubChem CID 91175399) has the molecular formula C3H2IN2+ and a molecular weight of 192.97 g/mol. Its IUPAC name is 2-iodoimidazol-2-ylium.

Molecular Properties

Compound Name2-iodoimidazol-2-ylium
PubChem CID91175399
Molecular FormulaC3H2IN2+
Molecular Weight192.97 g/mol
Exact Mass192.93
IUPAC Name2-iodoimidazol-2-ylium
SMILESI[C+]1N=CC=N1
InChIInChI=1S/C3H2IN2/c4-3-5-1-2-6-3/h1-2H/q+1
InChIKeyOXXJDKBHZFKXOB-UHFFFAOYSA-N
XLogP1.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.97
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-iodoimidazol-2-ylium 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 2-iodoimidazol-2-ylium?
The IUPAC name of 2-iodoimidazol-2-ylium (CID 91175399) is 2-iodoimidazol-2-ylium.
What is the SMILES notation for 2-iodoimidazol-2-ylium?
The canonical SMILES for 2-iodoimidazol-2-ylium is I[C+]1N=CC=N1.
What is the InChIKey of 2-iodoimidazol-2-ylium?
The InChIKey is OXXJDKBHZFKXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2IN2/c4-3-5-1-2-6-3/h1-2H/q+1.
What are the key properties of 2-iodoimidazol-2-ylium?
2-iodoimidazol-2-ylium has a molecular weight of 192.97 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodoimidazol-2-ylium is sourced from PubChem (CID 91175399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).