4,5-diphenyl-2-(trifluoromethyl)-1H-imidazole

C16H11F3N2 — CID 625676

IUPAC4,5-diphenyl-2-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C16H11F3N2/c17-16(18,19)15-20-13(11-7-3-1-4-8-11)14(21-15)12-9-5-2-6-10-12/h1-10H,(H,20,21)
InChIKeySZZFWIOKTUPSPX-UHFFFAOYSA-N
MW288.27 g/mol
LogP4.76
Rot. Bonds2

About 4,5-diphenyl-2-(trifluoromethyl)-1H-imidazole

4,5-diphenyl-2-(trifluoromethyl)-1H-imidazole (PubChem CID 625676) has the molecular formula C16H11F3N2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 4,5-diphenyl-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4,5-diphenyl-2-(trifluoromethyl)-1H-imidazole
PubChem CID625676
Molecular FormulaC16H11F3N2
Molecular Weight288.27 g/mol
Exact Mass288.09
IUPAC Name4,5-diphenyl-2-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C16H11F3N2/c17-16(18,19)15-20-13(11-7-3-1-4-8-11)14(21-15)12-9-5-2-6-10-12/h1-10H,(H,20,21)
InChIKeySZZFWIOKTUPSPX-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 4,5-diphenyl-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4,5-diphenyl-2-(trifluoromethyl)-1H-imidazole (CID 625676) is 4,5-diphenyl-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4,5-diphenyl-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4,5-diphenyl-2-(trifluoromethyl)-1H-imidazole is FC(F)(F)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 4,5-diphenyl-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is SZZFWIOKTUPSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2/c17-16(18,19)15-20-13(11-7-3-1-4-8-11)14(21-15)12-9-5-2-6-10-12/h1-10H,(H,20,21).
What are the key properties of 4,5-diphenyl-2-(trifluoromethyl)-1H-imidazole?
4,5-diphenyl-2-(trifluoromethyl)-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 4,5-diphenyl-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 625676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).