6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-[3,4,5-tris(fluoromethyl)phenyl]benzimidazole

C31H31F6N3O — CID 151301928

IUPAC6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-[3,4,5-tris(fluoromethyl)phenyl]benzimidazole
SMILESFCc1cc(-c2nc3ccc(OCCN4CCCCC4)cc3n2Cc2ccccc2C(F)(F)F)cc(CF)c1CF
InChIInChI=1S/C31H31F6N3O/c32-17-23-14-22(15-24(18-33)26(23)19-34)30-38-28-9-8-25(41-13-12-39-10-4-1-5-11-39)16-29(28)40(30)20-21-6-2-3-7-27(21)31(35,36)37/h2-3,6-9,14-16H,1,4-5,10-13,17-20H2
InChIKeyOCPJSJDVZMGJFN-UHFFFAOYSA-N
MW575.60 g/mol
LogP8.04
Rot. Bonds10

About 6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-[3,4,5-tris(fluoromethyl)phenyl]benzimidazole

6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-[3,4,5-tris(fluoromethyl)phenyl]benzimidazole (PubChem CID 151301928) has the molecular formula C31H31F6N3O and a molecular weight of 575.60 g/mol. Its IUPAC name is 6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-[3,4,5-tris(fluoromethyl)phenyl]benzimidazole.

Molecular Properties

Compound Name6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-[3,4,5-tris(fluoromethyl)phenyl]benzimidazole
PubChem CID151301928
Molecular FormulaC31H31F6N3O
Molecular Weight575.60 g/mol
Exact Mass575.24
IUPAC Name6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-[3,4,5-tris(fluoromethyl)phenyl]benzimidazole
SMILESFCc1cc(-c2nc3ccc(OCCN4CCCCC4)cc3n2Cc2ccccc2C(F)(F)F)cc(CF)c1CF
InChIInChI=1S/C31H31F6N3O/c32-17-23-14-22(15-24(18-33)26(23)19-34)30-38-28-9-8-25(41-13-12-39-10-4-1-5-11-39)16-29(28)40(30)20-21-6-2-3-7-27(21)31(35,36)37/h2-3,6-9,14-16H,1,4-5,10-13,17-20H2
InChIKeyOCPJSJDVZMGJFN-UHFFFAOYSA-N
XLogP8.04
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.60
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-[3,4,5-tris(fluoromethyl)phenyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-[3,4,5-tris(fluoromethyl)phenyl]benzimidazole?
The IUPAC name of 6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-[3,4,5-tris(fluoromethyl)phenyl]benzimidazole (CID 151301928) is 6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-[3,4,5-tris(fluoromethyl)phenyl]benzimidazole.
What is the SMILES notation for 6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-[3,4,5-tris(fluoromethyl)phenyl]benzimidazole?
The canonical SMILES for 6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-[3,4,5-tris(fluoromethyl)phenyl]benzimidazole is FCc1cc(-c2nc3ccc(OCCN4CCCCC4)cc3n2Cc2ccccc2C(F)(F)F)cc(CF)c1CF.
What is the InChIKey of 6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-[3,4,5-tris(fluoromethyl)phenyl]benzimidazole?
The InChIKey is OCPJSJDVZMGJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F6N3O/c32-17-23-14-22(15-24(18-33)26(23)19-34)30-38-28-9-8-25(41-13-12-39-10-4-1-5-11-39)16-29(28)40(30)20-21-6-2-3-7-27(21)31(35,36)37/h2-3,6-9,14-16H,1,4-5,10-13,17-20H2.
What are the key properties of 6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-[3,4,5-tris(fluoromethyl)phenyl]benzimidazole?
6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-[3,4,5-tris(fluoromethyl)phenyl]benzimidazole has a molecular weight of 575.60 g/mol, XLogP of 8.04, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-[3,4,5-tris(fluoromethyl)phenyl]benzimidazole is sourced from PubChem (CID 151301928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).