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

C11H7F3I2N2 — CID 67133119

IUPAC4,5-diiodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole
SMILESCn1c(-c2ccc(C(F)(F)F)cc2)nc(I)c1I
InChIInChI=1S/C11H7F3I2N2/c1-18-9(16)8(15)17-10(18)6-2-4-7(5-3-6)11(12,13)14/h2-5H,1H3
InChIKeyKCRRURTTWHXIOE-UHFFFAOYSA-N
MW477.99 g/mol
LogP4.32
Rot. Bonds1

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

4,5-diiodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole (PubChem CID 67133119) has the molecular formula C11H7F3I2N2 and a molecular weight of 477.99 g/mol. Its IUPAC name is 4,5-diiodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name4,5-diiodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole
PubChem CID67133119
Molecular FormulaC11H7F3I2N2
Molecular Weight477.99 g/mol
Exact Mass477.87
IUPAC Name4,5-diiodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole
SMILESCn1c(-c2ccc(C(F)(F)F)cc2)nc(I)c1I
InChIInChI=1S/C11H7F3I2N2/c1-18-9(16)8(15)17-10(18)6-2-4-7(5-3-6)11(12,13)14/h2-5H,1H3
InChIKeyKCRRURTTWHXIOE-UHFFFAOYSA-N
XLogP4.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.99
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-diiodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 4,5-diiodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole (CID 67133119) is 4,5-diiodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 4,5-diiodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 4,5-diiodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole is Cn1c(-c2ccc(C(F)(F)F)cc2)nc(I)c1I.
What is the InChIKey of 4,5-diiodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole?
The InChIKey is KCRRURTTWHXIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3I2N2/c1-18-9(16)8(15)17-10(18)6-2-4-7(5-3-6)11(12,13)14/h2-5H,1H3.
What are the key properties of 4,5-diiodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole?
4,5-diiodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole has a molecular weight of 477.99 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diiodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 67133119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).