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

C31H34F3N3O4 — CID 15388689

IUPAC6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
SMILESCOc1cc(-c2nc3ccc(OCCN4CCCCC4)cc3n2Cc2ccccc2C(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C31H34F3N3O4/c1-38-27-17-22(18-28(39-2)29(27)40-3)30-35-25-12-11-23(41-16-15-36-13-7-4-8-14-36)19-26(25)37(30)20-21-9-5-6-10-24(21)31(32,33)34/h5-6,9-12,17-19H,4,7-8,13-16,20H2,1-3H3
InChIKeyDFDQRIXLEXBBRN-UHFFFAOYSA-N
MW569.62 g/mol
LogP6.66
Rot. Bonds10

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

6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole (PubChem CID 15388689) has the molecular formula C31H34F3N3O4 and a molecular weight of 569.62 g/mol. Its IUPAC name is 6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole.

Molecular Properties

Compound Name6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
PubChem CID15388689
Molecular FormulaC31H34F3N3O4
Molecular Weight569.62 g/mol
Exact Mass569.25
IUPAC Name6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
SMILESCOc1cc(-c2nc3ccc(OCCN4CCCCC4)cc3n2Cc2ccccc2C(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C31H34F3N3O4/c1-38-27-17-22(18-28(39-2)29(27)40-3)30-35-25-12-11-23(41-16-15-36-13-7-4-8-14-36)19-26(25)37(30)20-21-9-5-6-10-24(21)31(32,33)34/h5-6,9-12,17-19H,4,7-8,13-16,20H2,1-3H3
InChIKeyDFDQRIXLEXBBRN-UHFFFAOYSA-N
XLogP6.66
TPSA57.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.62
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Related Compounds

CID 2881820
CID 2881820
CID 2881926
CID 2881926
CID 2946907
CID 2946907
CID 46382319
CID 46382319
CID 52946352
CID 52946352
CID 134133510
CID 134133510
CID 134141312
CID 134141312
CID 166625780
CID 166625780
CID 166632567
CID 166632567
CID 166636179
CID 166636179
CID 126484039
CID 126484039
CID 126484040
CID 126484040

Frequently Asked Questions

What is the IUPAC name of 6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole?
The IUPAC name of 6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole (CID 15388689) is 6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole.
What is the SMILES notation for 6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole?
The canonical SMILES for 6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole is COc1cc(-c2nc3ccc(OCCN4CCCCC4)cc3n2Cc2ccccc2C(F)(F)F)cc(OC)c1OC.
What is the InChIKey of 6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole?
The InChIKey is DFDQRIXLEXBBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3N3O4/c1-38-27-17-22(18-28(39-2)29(27)40-3)30-35-25-12-11-23(41-16-15-36-13-7-4-8-14-36)19-26(25)37(30)20-21-9-5-6-10-24(21)31(32,33)34/h5-6,9-12,17-19H,4,7-8,13-16,20H2,1-3H3.
What are the key properties of 6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole?
6-(2-piperidin-1-ylethoxy)-1-[[2-(trifluoromethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole has a molecular weight of 569.62 g/mol, XLogP of 6.66, 10 rotatable bonds, 0 hydrogen bond donors, and 7 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-trimethoxyphenyl)benzimidazole is sourced from PubChem (CID 15388689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).