1-[1-ethyl-7-methoxy-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone;1-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-[7-methoxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone

C100H92F14N10O10 — CID 167587572

About 1-[1-ethyl-7-methoxy-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone;1-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-[7-methoxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone

1-[1-ethyl-7-methoxy-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone;1-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-[7-methoxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone (PubChem CID 167587572) has the molecular formula C100H92F14N10O10 and a molecular weight of 1859.87 g/mol. Its IUPAC name is 1-[1-ethyl-7-methoxy-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone;1-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-[7-methoxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

• Compound Name: 1-[1-ethyl-7-methoxy-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone;1-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-[7-methoxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone
• PubChem CID: 167587572
• Molecular Formula: C100H92F14N10O10
• Molecular Weight: 1859.87 g/mol
• Exact Mass: 1858.68
• IUPAC Name: 1-[1-ethyl-7-methoxy-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone;1-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-[7-methoxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone
• SMILES: CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2cc(C(=O)NCC(C)C)ccc21.CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2cc(C(=O)Nc3cccc(C)c3)ccc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2cc(C(=O)Cc3cccc(C)c3)cc(OC)c21.COc1cc(C(=O)Cc2cccc(C)c2)cc2nc(C(O)(c3ccccc3)C(F)(F)F)n(C)c12
• InChI: InChI=1S/C27H25F3N2O3.C26H23F3N2O3.C25H21F4N3O2.C22H23F4N3O2/c1-4-32-24-21(31-25(32)26(34,27(28,29)30)20-11-6-5-7-12-20)15-19(16-23(24)35-3)22(33)14-18-10-8-9-17(2)13-18;1-16-8-7-9-17(12-16)13-21(32)18-14-20-23(22(15-18)34-3)31(2)24(30-20)25(33,26(27,28)29)19-10-5-4-6-11-19;1-3-32-21-12-7-16(22(33)30-19-6-4-5-15(2)13-19)14-20(21)31-23(32)24(34,25(27,28)29)17-8-10-18(26)11-9-17;1-4-29-18-10-5-14(19(30)27-12-13(2)3)11-17(18)28-20(29)21(31,22(24,25)26)15-6-8-16(23)9-7-15/h5-13,15-16,34H,4,14H2,1-3H3;4-12,14-15,33H,13H2,1-3H3;4-14,34H,3H2,1-2H3,(H,30,33);5-11,13,31H,4,12H2,1-3H3,(H,27,30)
• InChIKey: HZPDBANJAJKUBR-UHFFFAOYSA-N
• XLogP: 20.64
• TPSA: 263.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1859.87
LogP ≤ 5	20.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-7-methoxy-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone;1-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-[7-methoxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone?

The IUPAC name of 1-[1-ethyl-7-methoxy-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone;1-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-[7-methoxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone (CID 167587572) is 1-[1-ethyl-7-methoxy-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone;1-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-[7-methoxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone.

What is the SMILES notation for 1-[1-ethyl-7-methoxy-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone;1-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-[7-methoxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone?

The canonical SMILES for 1-[1-ethyl-7-methoxy-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone;1-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-[7-methoxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone is CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2cc(C(=O)NCC(C)C)ccc21.CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2cc(C(=O)Nc3cccc(C)c3)ccc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2cc(C(=O)Cc3cccc(C)c3)cc(OC)c21.COc1cc(C(=O)Cc2cccc(C)c2)cc2nc(C(O)(c3ccccc3)C(F)(F)F)n(C)c12.

What is the InChIKey of 1-[1-ethyl-7-methoxy-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone;1-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-[7-methoxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone?

The InChIKey is HZPDBANJAJKUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N2O3.C26H23F3N2O3.C25H21F4N3O2.C22H23F4N3O2/c1-4-32-24-21(31-25(32)26(34,27(28,29)30)20-11-6-5-7-12-20)15-19(16-23(24)35-3)22(33)14-18-10-8-9-17(2)13-18;1-16-8-7-9-17(12-16)13-21(32)18-14-20-23(22(15-18)34-3)31(2)24(30-20)25(33,26(27,28)29)19-10-5-4-6-11-19;1-3-32-21-12-7-16(22(33)30-19-6-4-5-15(2)13-19)14-20(21)31-23(32)24(34,25(27,28)29)17-8-10-18(26)11-9-17;1-4-29-18-10-5-14(19(30)27-12-13(2)3)11-17(18)28-20(29)21(31,22(24,25)26)15-6-8-16(23)9-7-15/h5-13,15-16,34H,4,14H2,1-3H3;4-12,14-15,33H,13H2,1-3H3;4-14,34H,3H2,1-2H3,(H,30,33);5-11,13,31H,4,12H2,1-3H3,(H,27,30).

What are the key properties of 1-[1-ethyl-7-methoxy-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone;1-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-[7-methoxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone?

1-[1-ethyl-7-methoxy-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone;1-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-[7-methoxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 1859.87 g/mol, XLogP of 20.64, 24 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-ethyl-7-methoxy-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone;1-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;1-[7-methoxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 167587572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).