6-iodo-1H-benzimidazol-2-amine

C7H6IN3 — CID 60835496

IUPAC6-iodo-1H-benzimidazol-2-amine
SMILESNc1nc2ccc(I)cc2[nH]1
InChIInChI=1S/C7H6IN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
InChIKeyZWCSKUASORKDRC-UHFFFAOYSA-N
MW259.05 g/mol
LogP1.75
Rot. Bonds

About 6-iodo-1H-benzimidazol-2-amine

6-iodo-1H-benzimidazol-2-amine (PubChem CID 60835496) has the molecular formula C7H6IN3 and a molecular weight of 259.05 g/mol. Its IUPAC name is 6-iodo-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-iodo-1H-benzimidazol-2-amine
PubChem CID60835496
Molecular FormulaC7H6IN3
Molecular Weight259.05 g/mol
Exact Mass258.96
IUPAC Name6-iodo-1H-benzimidazol-2-amine
SMILESNc1nc2ccc(I)cc2[nH]1
InChIInChI=1S/C7H6IN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
InChIKeyZWCSKUASORKDRC-UHFFFAOYSA-N
XLogP1.75
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.05
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-iodo-1H-benzimidazol-2-amine 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 6-iodo-1H-benzimidazol-2-amine?
The IUPAC name of 6-iodo-1H-benzimidazol-2-amine (CID 60835496) is 6-iodo-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-iodo-1H-benzimidazol-2-amine?
The canonical SMILES for 6-iodo-1H-benzimidazol-2-amine is Nc1nc2ccc(I)cc2[nH]1.
What is the InChIKey of 6-iodo-1H-benzimidazol-2-amine?
The InChIKey is ZWCSKUASORKDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6IN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11).
What are the key properties of 6-iodo-1H-benzimidazol-2-amine?
6-iodo-1H-benzimidazol-2-amine has a molecular weight of 259.05 g/mol, XLogP of 1.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-1H-benzimidazol-2-amine is sourced from PubChem (CID 60835496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).