1-[2-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]benzimidazole

C23H19F3N2O — CID 16729031

IUPAC1-[2-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]benzimidazole
SMILESFC(F)(F)c1ccc(COC(Cn2cnc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C23H19F3N2O/c24-23(25,26)19-12-10-17(11-13-19)15-29-22(18-6-2-1-3-7-18)14-28-16-27-20-8-4-5-9-21(20)28/h1-13,16,22H,14-15H2
InChIKeyQLLFDEZSGQZACU-UHFFFAOYSA-N
MW396.41 g/mol
LogP6.01
Rot. Bonds6

About 1-[2-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]benzimidazole

1-[2-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]benzimidazole (PubChem CID 16729031) has the molecular formula C23H19F3N2O and a molecular weight of 396.41 g/mol. Its IUPAC name is 1-[2-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]benzimidazole.

Molecular Properties

Compound Name1-[2-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]benzimidazole
PubChem CID16729031
Molecular FormulaC23H19F3N2O
Molecular Weight396.41 g/mol
Exact Mass396.14
IUPAC Name1-[2-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]benzimidazole
SMILESFC(F)(F)c1ccc(COC(Cn2cnc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C23H19F3N2O/c24-23(25,26)19-12-10-17(11-13-19)15-29-22(18-6-2-1-3-7-18)14-28-16-27-20-8-4-5-9-21(20)28/h1-13,16,22H,14-15H2
InChIKeyQLLFDEZSGQZACU-UHFFFAOYSA-N
XLogP6.01
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.41
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]benzimidazole?
The IUPAC name of 1-[2-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]benzimidazole (CID 16729031) is 1-[2-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]benzimidazole.
What is the SMILES notation for 1-[2-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]benzimidazole?
The canonical SMILES for 1-[2-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]benzimidazole is FC(F)(F)c1ccc(COC(Cn2cnc3ccccc32)c2ccccc2)cc1.
What is the InChIKey of 1-[2-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]benzimidazole?
The InChIKey is QLLFDEZSGQZACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O/c24-23(25,26)19-12-10-17(11-13-19)15-29-22(18-6-2-1-3-7-18)14-28-16-27-20-8-4-5-9-21(20)28/h1-13,16,22H,14-15H2.
What are the key properties of 1-[2-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]benzimidazole?
1-[2-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]benzimidazole has a molecular weight of 396.41 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]benzimidazole is sourced from PubChem (CID 16729031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).