5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole

C11H8ClF3N2 — CID 57361979

IUPAC5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole
SMILESFC(F)(F)c1ccc(-c2ncc(CCl)[nH]2)cc1
InChIInChI=1S/C11H8ClF3N2/c12-5-9-6-16-10(17-9)7-1-3-8(4-2-7)11(13,14)15/h1-4,6H,5H2,(H,16,17)
InChIKeyLEUABOHHWWZLTJ-UHFFFAOYSA-N
MW260.65 g/mol
LogP3.83
Rot. Bonds2

About 5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole

5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole (PubChem CID 57361979) has the molecular formula C11H8ClF3N2 and a molecular weight of 260.65 g/mol. Its IUPAC name is 5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole
PubChem CID57361979
Molecular FormulaC11H8ClF3N2
Molecular Weight260.65 g/mol
Exact Mass260.03
IUPAC Name5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole
SMILESFC(F)(F)c1ccc(-c2ncc(CCl)[nH]2)cc1
InChIInChI=1S/C11H8ClF3N2/c12-5-9-6-16-10(17-9)7-1-3-8(4-2-7)11(13,14)15/h1-4,6H,5H2,(H,16,17)
InChIKeyLEUABOHHWWZLTJ-UHFFFAOYSA-N
XLogP3.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole?
The IUPAC name of 5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole (CID 57361979) is 5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole.
What is the SMILES notation for 5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole?
The canonical SMILES for 5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole is FC(F)(F)c1ccc(-c2ncc(CCl)[nH]2)cc1.
What is the InChIKey of 5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole?
The InChIKey is LEUABOHHWWZLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2/c12-5-9-6-16-10(17-9)7-1-3-8(4-2-7)11(13,14)15/h1-4,6H,5H2,(H,16,17).
What are the key properties of 5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole?
5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole has a molecular weight of 260.65 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole is sourced from PubChem (CID 57361979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).