Home > Compound List > Compound details
149510-85-0 molecular structure
click picture or here to close

2,5-diiodo-4-methyl-1H-imidazole

ChemBase ID: 74762
Molecular Formular: C4H4I2N2
Molecular Mass: 333.8969
Monoisotopic Mass: 333.84639414
SMILES and InChIs

SMILES:
[nH]1c(c(nc1I)C)I
Canonical SMILES:
Ic1[nH]c(c(n1)C)I
InChI:
InChI=1S/C4H4I2N2/c1-2-3(5)8-4(6)7-2/h1H3,(H,7,8)
InChIKey:
GPBIXFAUPJOCRS-UHFFFAOYSA-N

Cite this record

CBID:74762 http://www.chembase.cn/molecule-74762.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-diiodo-4-methyl-1H-imidazole
IUPAC Traditional name
2,4-diiodo-5-methyl-3H-imidazole
Synonyms
2,5-Diiodo-4-methyl-1H-imidazole
2,5-diiodo-4-methylimidazole
CAS Number
149510-85-0
MDL Number
MFCD02179520
PubChem SID
162039680
PubChem CID
322557

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.675524  H Acceptors
H Donor LogD (pH = 5.5) 2.2516627 
LogD (pH = 7.4) 2.259246  Log P 2.259572 
Molar Refractivity 47.4961 cm3 Polarizability 20.048279 Å3
Polar Surface Area 28.68 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle