1-[3-(trifluoromethyl)phenyl]-2H-imidazole

C10H7F3N2 — CID 158517979

IUPAC1-[3-(trifluoromethyl)phenyl]-2H-imidazole
SMILESFC(F)(F)c1cccc(N2C=C=NC2)c1
InChIInChI=1S/C10H7F3N2/c11-10(12,13)8-2-1-3-9(6-8)15-5-4-14-7-15/h1-3,5-6H,7H2
InChIKeyVQKJLVQUFMJRJF-UHFFFAOYSA-N
MW212.17 g/mol
LogP2.67
Rot. Bonds1

About 1-[3-(trifluoromethyl)phenyl]-2H-imidazole

1-[3-(trifluoromethyl)phenyl]-2H-imidazole (PubChem CID 158517979) has the molecular formula C10H7F3N2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]-2H-imidazole.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]-2H-imidazole
PubChem CID158517979
Molecular FormulaC10H7F3N2
Molecular Weight212.17 g/mol
Exact Mass212.06
IUPAC Name1-[3-(trifluoromethyl)phenyl]-2H-imidazole
SMILESFC(F)(F)c1cccc(N2C=C=NC2)c1
InChIInChI=1S/C10H7F3N2/c11-10(12,13)8-2-1-3-9(6-8)15-5-4-14-7-15/h1-3,5-6H,7H2
InChIKeyVQKJLVQUFMJRJF-UHFFFAOYSA-N
XLogP2.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]-2H-imidazole?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]-2H-imidazole (CID 158517979) is 1-[3-(trifluoromethyl)phenyl]-2H-imidazole.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]-2H-imidazole?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]-2H-imidazole is FC(F)(F)c1cccc(N2C=C=NC2)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]-2H-imidazole?
The InChIKey is VQKJLVQUFMJRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2/c11-10(12,13)8-2-1-3-9(6-8)15-5-4-14-7-15/h1-3,5-6H,7H2.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]-2H-imidazole?
1-[3-(trifluoromethyl)phenyl]-2H-imidazole has a molecular weight of 212.17 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]-2H-imidazole is sourced from PubChem (CID 158517979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).