1-(4-fluorophenyl)-5-iodo-4-methyl-2-(trifluoromethyl)imidazole

C11H7F4IN2 — CID 174169006

IUPAC1-(4-fluorophenyl)-5-iodo-4-methyl-2-(trifluoromethyl)imidazole
SMILESCc1nc(C(F)(F)F)n(-c2ccc(F)cc2)c1I
InChIInChI=1S/C11H7F4IN2/c1-6-9(16)18(10(17-6)11(13,14)15)8-4-2-7(12)3-5-8/h2-5H,1H3
InChIKeyJXRAVVJIJILFDZ-UHFFFAOYSA-N
MW370.09 g/mol
LogP3.94
Rot. Bonds1

About 1-(4-fluorophenyl)-5-iodo-4-methyl-2-(trifluoromethyl)imidazole

1-(4-fluorophenyl)-5-iodo-4-methyl-2-(trifluoromethyl)imidazole (PubChem CID 174169006) has the molecular formula C11H7F4IN2 and a molecular weight of 370.09 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-iodo-4-methyl-2-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-iodo-4-methyl-2-(trifluoromethyl)imidazole
PubChem CID174169006
Molecular FormulaC11H7F4IN2
Molecular Weight370.09 g/mol
Exact Mass369.96
IUPAC Name1-(4-fluorophenyl)-5-iodo-4-methyl-2-(trifluoromethyl)imidazole
SMILESCc1nc(C(F)(F)F)n(-c2ccc(F)cc2)c1I
InChIInChI=1S/C11H7F4IN2/c1-6-9(16)18(10(17-6)11(13,14)15)8-4-2-7(12)3-5-8/h2-5H,1H3
InChIKeyJXRAVVJIJILFDZ-UHFFFAOYSA-N
XLogP3.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.09
LogP ≤ 53.94
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 1-(4-fluorophenyl)-5-iodo-4-methyl-2-(trifluoromethyl)imidazole?
The IUPAC name of 1-(4-fluorophenyl)-5-iodo-4-methyl-2-(trifluoromethyl)imidazole (CID 174169006) is 1-(4-fluorophenyl)-5-iodo-4-methyl-2-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-iodo-4-methyl-2-(trifluoromethyl)imidazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-iodo-4-methyl-2-(trifluoromethyl)imidazole is Cc1nc(C(F)(F)F)n(-c2ccc(F)cc2)c1I.
What is the InChIKey of 1-(4-fluorophenyl)-5-iodo-4-methyl-2-(trifluoromethyl)imidazole?
The InChIKey is JXRAVVJIJILFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4IN2/c1-6-9(16)18(10(17-6)11(13,14)15)8-4-2-7(12)3-5-8/h2-5H,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-iodo-4-methyl-2-(trifluoromethyl)imidazole?
1-(4-fluorophenyl)-5-iodo-4-methyl-2-(trifluoromethyl)imidazole has a molecular weight of 370.09 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-iodo-4-methyl-2-(trifluoromethyl)imidazole is sourced from PubChem (CID 174169006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).