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

C10H7F3N2 — CID 15892560

IUPAC2-[3-(trifluoromethyl)phenyl]-1H-imidazole
SMILESFC(F)(F)c1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C10H7F3N2/c11-10(12,13)8-3-1-2-7(6-8)9-14-4-5-15-9/h1-6H,(H,14,15)
InChIKeyFKNKITNWTIFPFX-UHFFFAOYSA-N
MW212.17 g/mol
LogP3.10
Rot. Bonds1

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

2-[3-(trifluoromethyl)phenyl]-1H-imidazole (PubChem CID 15892560) has the molecular formula C10H7F3N2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-1H-imidazole
PubChem CID15892560
Molecular FormulaC10H7F3N2
Molecular Weight212.17 g/mol
Exact Mass212.06
IUPAC Name2-[3-(trifluoromethyl)phenyl]-1H-imidazole
SMILESFC(F)(F)c1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C10H7F3N2/c11-10(12,13)8-3-1-2-7(6-8)9-14-4-5-15-9/h1-6H,(H,14,15)
InChIKeyFKNKITNWTIFPFX-UHFFFAOYSA-N
XLogP3.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1H-imidazole?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1H-imidazole (CID 15892560) is 2-[3-(trifluoromethyl)phenyl]-1H-imidazole.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-1H-imidazole?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-1H-imidazole is FC(F)(F)c1cccc(-c2ncc[nH]2)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-1H-imidazole?
The InChIKey is FKNKITNWTIFPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2/c11-10(12,13)8-3-1-2-7(6-8)9-14-4-5-15-9/h1-6H,(H,14,15).
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-1H-imidazole?
2-[3-(trifluoromethyl)phenyl]-1H-imidazole has a molecular weight of 212.17 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-1H-imidazole is sourced from PubChem (CID 15892560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).