6-iodo-2-(trichloromethyl)-1H-benzimidazole

C8H4Cl3IN2 — CID 23131927

IUPAC6-iodo-2-(trichloromethyl)-1H-benzimidazole
SMILESClC(Cl)(Cl)c1nc2ccc(I)cc2[nH]1
InChIInChI=1S/C8H4Cl3IN2/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,(H,13,14)
InChIKeySUJPBSWQBUMNFS-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.99
Rot. Bonds

About 6-iodo-2-(trichloromethyl)-1H-benzimidazole

6-iodo-2-(trichloromethyl)-1H-benzimidazole (PubChem CID 23131927) has the molecular formula C8H4Cl3IN2 and a molecular weight of 361.40 g/mol. Its IUPAC name is 6-iodo-2-(trichloromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-iodo-2-(trichloromethyl)-1H-benzimidazole
PubChem CID23131927
Molecular FormulaC8H4Cl3IN2
Molecular Weight361.40 g/mol
Exact Mass359.85
IUPAC Name6-iodo-2-(trichloromethyl)-1H-benzimidazole
SMILESClC(Cl)(Cl)c1nc2ccc(I)cc2[nH]1
InChIInChI=1S/C8H4Cl3IN2/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,(H,13,14)
InChIKeySUJPBSWQBUMNFS-UHFFFAOYSA-N
XLogP3.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-iodo-2-(trichloromethyl)-1H-benzimidazole 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-2-(trichloromethyl)-1H-benzimidazole?
The IUPAC name of 6-iodo-2-(trichloromethyl)-1H-benzimidazole (CID 23131927) is 6-iodo-2-(trichloromethyl)-1H-benzimidazole.
What is the SMILES notation for 6-iodo-2-(trichloromethyl)-1H-benzimidazole?
The canonical SMILES for 6-iodo-2-(trichloromethyl)-1H-benzimidazole is ClC(Cl)(Cl)c1nc2ccc(I)cc2[nH]1.
What is the InChIKey of 6-iodo-2-(trichloromethyl)-1H-benzimidazole?
The InChIKey is SUJPBSWQBUMNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl3IN2/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,(H,13,14).
What are the key properties of 6-iodo-2-(trichloromethyl)-1H-benzimidazole?
6-iodo-2-(trichloromethyl)-1H-benzimidazole has a molecular weight of 361.40 g/mol, XLogP of 3.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-(trichloromethyl)-1H-benzimidazole is sourced from PubChem (CID 23131927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).