4,5-diiodo-2-[3-(trifluoromethyl)phenyl]-1H-imidazole

C10H5F3I2N2 — CID 67133332

IUPAC4,5-diiodo-2-[3-(trifluoromethyl)phenyl]-1H-imidazole
SMILESFC(F)(F)c1cccc(-c2nc(I)c(I)[nH]2)c1
InChIInChI=1S/C10H5F3I2N2/c11-10(12,13)6-3-1-2-5(4-6)9-16-7(14)8(15)17-9/h1-4H,(H,16,17)
InChIKeyUTDMLPPZCSSCGJ-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.30
Rot. Bonds1

About 4,5-diiodo-2-[3-(trifluoromethyl)phenyl]-1H-imidazole

4,5-diiodo-2-[3-(trifluoromethyl)phenyl]-1H-imidazole (PubChem CID 67133332) has the molecular formula C10H5F3I2N2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 4,5-diiodo-2-[3-(trifluoromethyl)phenyl]-1H-imidazole.

Molecular Properties

Compound Name4,5-diiodo-2-[3-(trifluoromethyl)phenyl]-1H-imidazole
PubChem CID67133332
Molecular FormulaC10H5F3I2N2
Molecular Weight463.97 g/mol
Exact Mass463.85
IUPAC Name4,5-diiodo-2-[3-(trifluoromethyl)phenyl]-1H-imidazole
SMILESFC(F)(F)c1cccc(-c2nc(I)c(I)[nH]2)c1
InChIInChI=1S/C10H5F3I2N2/c11-10(12,13)6-3-1-2-5(4-6)9-16-7(14)8(15)17-9/h1-4H,(H,16,17)
InChIKeyUTDMLPPZCSSCGJ-UHFFFAOYSA-N
XLogP4.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,5-diiodo-2-[3-(trifluoromethyl)phenyl]-1H-imidazole with MolForge

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

Launch Full Analysis

Related Compounds

5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 60980278
2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine
CID 23085660
5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 43164237
5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole
CID 153289392
6-chloro-8-[3-(trifluoromethyl)phenyl]-7H-purine
CID 24903925
2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 14957639
5-ethyl-4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 63613617
5-bromo-6-ethyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 106479882
2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 10852098
6-amino-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 137104076
2-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinoline
CID 14207820
3-iodo-6-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 134626985

Frequently Asked Questions

What is the IUPAC name of 4,5-diiodo-2-[3-(trifluoromethyl)phenyl]-1H-imidazole?
The IUPAC name of 4,5-diiodo-2-[3-(trifluoromethyl)phenyl]-1H-imidazole (CID 67133332) is 4,5-diiodo-2-[3-(trifluoromethyl)phenyl]-1H-imidazole.
What is the SMILES notation for 4,5-diiodo-2-[3-(trifluoromethyl)phenyl]-1H-imidazole?
The canonical SMILES for 4,5-diiodo-2-[3-(trifluoromethyl)phenyl]-1H-imidazole is FC(F)(F)c1cccc(-c2nc(I)c(I)[nH]2)c1.
What is the InChIKey of 4,5-diiodo-2-[3-(trifluoromethyl)phenyl]-1H-imidazole?
The InChIKey is UTDMLPPZCSSCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3I2N2/c11-10(12,13)6-3-1-2-5(4-6)9-16-7(14)8(15)17-9/h1-4H,(H,16,17).
What are the key properties of 4,5-diiodo-2-[3-(trifluoromethyl)phenyl]-1H-imidazole?
4,5-diiodo-2-[3-(trifluoromethyl)phenyl]-1H-imidazole has a molecular weight of 463.97 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diiodo-2-[3-(trifluoromethyl)phenyl]-1H-imidazole is sourced from PubChem (CID 67133332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).