1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole

C23H17F3N2 — CID 5013174

IUPAC1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole
SMILESFC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)c1
InChIInChI=1S/C23H17F3N2/c24-23(25,26)21-13-7-12-20(16-21)22(28-15-14-27-17-28,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-17H
InChIKeyXXQXSLUGWUBGBQ-UHFFFAOYSA-N
MW378.40 g/mol
LogP5.74
Rot. Bonds4

About 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole

1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole (PubChem CID 5013174) has the molecular formula C23H17F3N2 and a molecular weight of 378.40 g/mol. Its IUPAC name is 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole.

Molecular Properties

Compound Name1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole
PubChem CID5013174
Molecular FormulaC23H17F3N2
Molecular Weight378.40 g/mol
Exact Mass378.13
IUPAC Name1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole
SMILESFC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)c1
InChIInChI=1S/C23H17F3N2/c24-23(25,26)21-13-7-12-20(16-21)22(28-15-14-27-17-28,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-17H
InChIKeyXXQXSLUGWUBGBQ-UHFFFAOYSA-N
XLogP5.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.40
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole?
The IUPAC name of 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole (CID 5013174) is 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole.
What is the SMILES notation for 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole?
The canonical SMILES for 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole is FC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)c1.
What is the InChIKey of 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole?
The InChIKey is XXQXSLUGWUBGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2/c24-23(25,26)21-13-7-12-20(16-21)22(28-15-14-27-17-28,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-17H.
What are the key properties of 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole?
1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole has a molecular weight of 378.40 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole is sourced from PubChem (CID 5013174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).