4,4,5-triphenyl-5-(trifluoromethyl)-1H-imidazole

C22H17F3N2 — CID 173192380

IUPAC4,4,5-triphenyl-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)C1(c2ccccc2)NC=NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17F3N2/c23-22(24,25)21(19-14-8-3-9-15-19)20(26-16-27-21,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16H,(H,26,27)
InChIKeyHQEXLDCACQZYMA-UHFFFAOYSA-N
MW366.39 g/mol
LogP5.02
Rot. Bonds3

About 4,4,5-triphenyl-5-(trifluoromethyl)-1H-imidazole

4,4,5-triphenyl-5-(trifluoromethyl)-1H-imidazole (PubChem CID 173192380) has the molecular formula C22H17F3N2 and a molecular weight of 366.39 g/mol. Its IUPAC name is 4,4,5-triphenyl-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4,4,5-triphenyl-5-(trifluoromethyl)-1H-imidazole
PubChem CID173192380
Molecular FormulaC22H17F3N2
Molecular Weight366.39 g/mol
Exact Mass366.13
IUPAC Name4,4,5-triphenyl-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)C1(c2ccccc2)NC=NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17F3N2/c23-22(24,25)21(19-14-8-3-9-15-19)20(26-16-27-21,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16H,(H,26,27)
InChIKeyHQEXLDCACQZYMA-UHFFFAOYSA-N
XLogP5.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,5-triphenyl-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4,4,5-triphenyl-5-(trifluoromethyl)-1H-imidazole (CID 173192380) is 4,4,5-triphenyl-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4,4,5-triphenyl-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4,4,5-triphenyl-5-(trifluoromethyl)-1H-imidazole is FC(F)(F)C1(c2ccccc2)NC=NC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,4,5-triphenyl-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is HQEXLDCACQZYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2/c23-22(24,25)21(19-14-8-3-9-15-19)20(26-16-27-21,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16H,(H,26,27).
What are the key properties of 4,4,5-triphenyl-5-(trifluoromethyl)-1H-imidazole?
4,4,5-triphenyl-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 366.39 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-triphenyl-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 173192380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).