2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole

C22H17F3N2O — CID 3371851

IUPAC2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole
SMILESCc1ccc(-c2nc3ccccc3n2OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H17F3N2O/c1-15-9-11-17(12-10-15)21-26-19-7-2-3-8-20(19)27(21)28-14-16-5-4-6-18(13-16)22(23,24)25/h2-13H,14H2,1H3
InChIKeyIJVMTURCYNHFKR-UHFFFAOYSA-N
MW382.39 g/mol
LogP5.66
Rot. Bonds4

About 2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole

2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole (PubChem CID 3371851) has the molecular formula C22H17F3N2O and a molecular weight of 382.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole
PubChem CID3371851
Molecular FormulaC22H17F3N2O
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole
SMILESCc1ccc(-c2nc3ccccc3n2OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H17F3N2O/c1-15-9-11-17(12-10-15)21-26-19-7-2-3-8-20(19)27(21)28-14-16-5-4-6-18(13-16)22(23,24)25/h2-13H,14H2,1H3
InChIKeyIJVMTURCYNHFKR-UHFFFAOYSA-N
XLogP5.66
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole?
The IUPAC name of 2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole (CID 3371851) is 2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole.
What is the SMILES notation for 2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole?
The canonical SMILES for 2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole is Cc1ccc(-c2nc3ccccc3n2OCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole?
The InChIKey is IJVMTURCYNHFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O/c1-15-9-11-17(12-10-15)21-26-19-7-2-3-8-20(19)27(21)28-14-16-5-4-6-18(13-16)22(23,24)25/h2-13H,14H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole?
2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole has a molecular weight of 382.39 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole is sourced from PubChem (CID 3371851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).