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

C16H11F3N2 — CID 76845973

IUPAC2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-imidazole
SMILESFC(F)(F)c1ccc(-c2ccccc2-c2ncc[nH]2)cc1
InChIInChI=1S/C16H11F3N2/c17-16(18,19)12-7-5-11(6-8-12)13-3-1-2-4-14(13)15-20-9-10-21-15/h1-10H,(H,20,21)
InChIKeyOPIYEHLPGUHQOY-UHFFFAOYSA-N
MW288.27 g/mol
LogP4.76
Rot. Bonds2

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

2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-imidazole (PubChem CID 76845973) has the molecular formula C16H11F3N2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-imidazole
PubChem CID76845973
Molecular FormulaC16H11F3N2
Molecular Weight288.27 g/mol
Exact Mass288.09
IUPAC Name2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-imidazole
SMILESFC(F)(F)c1ccc(-c2ccccc2-c2ncc[nH]2)cc1
InChIInChI=1S/C16H11F3N2/c17-16(18,19)12-7-5-11(6-8-12)13-3-1-2-4-14(13)15-20-9-10-21-15/h1-10H,(H,20,21)
InChIKeyOPIYEHLPGUHQOY-UHFFFAOYSA-N
XLogP4.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-imidazole?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-imidazole (CID 76845973) is 2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-imidazole.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-imidazole?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-imidazole is FC(F)(F)c1ccc(-c2ccccc2-c2ncc[nH]2)cc1.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-imidazole?
The InChIKey is OPIYEHLPGUHQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2/c17-16(18,19)12-7-5-11(6-8-12)13-3-1-2-4-14(13)15-20-9-10-21-15/h1-10H,(H,20,21).
What are the key properties of 2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-imidazole?
2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-imidazole has a molecular weight of 288.27 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-imidazole is sourced from PubChem (CID 76845973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).