N-(3-acetylphenyl)-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;tert-butyl 3-[[3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carbonyl]amino]benzoate;2-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-hydroxyethyl]-3-ethyl-N-(3-methylphenyl)benzimidazole-5-carboxamide;N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide

C140H135F15N16O19S — CID 167628529

About N-(3-acetylphenyl)-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;tert-butyl 3-[[3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carbonyl]amino]benzoate;2-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-hydroxyethyl]-3-ethyl-N-(3-methylphenyl)benzimidazole-5-carboxamide;N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide

N-(3-acetylphenyl)-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;tert-butyl 3-[[3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carbonyl]amino]benzoate;2-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-hydroxyethyl]-3-ethyl-N-(3-methylphenyl)benzimidazole-5-carboxamide;N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide (PubChem CID 167628529) has the molecular formula C140H135F15N16O19S and a molecular weight of 2662.75 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;tert-butyl 3-[[3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carbonyl]amino]benzoate;2-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-hydroxyethyl]-3-ethyl-N-(3-methylphenyl)benzimidazole-5-carboxamide;N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(3-acetylphenyl)-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;tert-butyl 3-[[3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carbonyl]amino]benzoate;2-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-hydroxyethyl]-3-ethyl-N-(3-methylphenyl)benzimidazole-5-carboxamide;N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide
• PubChem CID: 167628529
• Molecular Formula: C140H135F15N16O19S
• Molecular Weight: 2662.75 g/mol
• Exact Mass: 2660.96
• IUPAC Name: N-(3-acetylphenyl)-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;tert-butyl 3-[[3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carbonyl]amino]benzoate;2-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-hydroxyethyl]-3-ethyl-N-(3-methylphenyl)benzimidazole-5-carboxamide;N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide
• SMILES: CCn1c(C(O)(c2ccc(C(C)(C)C)cc2)C(F)(F)F)nc2ccc(C(=O)Nc3cccc(C)c3)cc21.CCn1c(C(O)(c2ccc(CO)cc2)C(F)(F)F)nc2ccc(C(=O)Nc3ccc(S(=O)(=O)NC4CC4)cc3)cc21.CCn1c(C(O)(c2ccc(CO)cc2)C(F)(F)F)nc2ccc(C(=O)Nc3cccc(C(=O)OC(C)(C)C)c3)cc21.CCn1c(C(O)(c2ccc(CO)cc2)C(F)(F)F)nc2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc21.CCn1c(C(O)(c2ccc(CO)cc2)C(F)(F)F)nc2ccc(C(=O)Nc3cccc(C)c3)cc21
• InChI: InChI=1S/C30H30F3N3O5.C29H30F3N3O2.C28H27F3N4O5S.C27H24F3N3O4.C26H24F3N3O3/c1-5-36-24-16-19(25(38)34-22-8-6-7-20(15-22)26(39)41-28(2,3)4)11-14-23(24)35-27(36)29(40,30(31,32)33)21-12-9-18(17-37)10-13-21;1-6-35-24-17-19(25(36)33-22-9-7-8-18(2)16-22)10-15-23(24)34-26(35)28(37,29(30,31)32)21-13-11-20(12-14-21)27(3,4)5;1-2-35-24-15-18(25(37)32-20-10-12-22(13-11-20)41(39,40)34-21-8-9-21)5-14-23(24)33-26(35)27(38,28(29,30)31)19-6-3-17(16-36)4-7-19;1-3-33-23-14-19(24(36)31-21-6-4-5-18(13-21)16(2)35)9-12-22(23)32-25(33)26(37,27(28,29)30)20-10-7-17(15-34)8-11-20;1-3-32-22-14-18(23(34)30-20-6-4-5-16(2)13-20)9-12-21(22)31-24(32)25(35,26(27,28)29)19-10-7-17(15-33)8-11-19/h6-16,37,40H,5,17H2,1-4H3,(H,34,38);7-17,37H,6H2,1-5H3,(H,33,36);3-7,10-15,21,34,36,38H,2,8-9,16H2,1H3,(H,32,37);4-14,34,37H,3,15H2,1-2H3,(H,31,36);4-14,33,35H,3,15H2,1-2H3,(H,30,34)
• InChIKey: NLLKPIVXCNZEMV-UHFFFAOYSA-N
• XLogP: 26.02
• TPSA: 506.21 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 29
• Rotatable Bonds: 34
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2662.75
LogP ≤ 5	26.02
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;tert-butyl 3-[[3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carbonyl]amino]benzoate;2-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-hydroxyethyl]-3-ethyl-N-(3-methylphenyl)benzimidazole-5-carboxamide;N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide?

The IUPAC name of N-(3-acetylphenyl)-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;tert-butyl 3-[[3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carbonyl]amino]benzoate;2-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-hydroxyethyl]-3-ethyl-N-(3-methylphenyl)benzimidazole-5-carboxamide;N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide (CID 167628529) is N-(3-acetylphenyl)-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;tert-butyl 3-[[3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carbonyl]amino]benzoate;2-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-hydroxyethyl]-3-ethyl-N-(3-methylphenyl)benzimidazole-5-carboxamide;N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide.

What is the SMILES notation for N-(3-acetylphenyl)-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;tert-butyl 3-[[3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carbonyl]amino]benzoate;2-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-hydroxyethyl]-3-ethyl-N-(3-methylphenyl)benzimidazole-5-carboxamide;N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide?

The canonical SMILES for N-(3-acetylphenyl)-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;tert-butyl 3-[[3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carbonyl]amino]benzoate;2-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-hydroxyethyl]-3-ethyl-N-(3-methylphenyl)benzimidazole-5-carboxamide;N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide is CCn1c(C(O)(c2ccc(C(C)(C)C)cc2)C(F)(F)F)nc2ccc(C(=O)Nc3cccc(C)c3)cc21.CCn1c(C(O)(c2ccc(CO)cc2)C(F)(F)F)nc2ccc(C(=O)Nc3ccc(S(=O)(=O)NC4CC4)cc3)cc21.CCn1c(C(O)(c2ccc(CO)cc2)C(F)(F)F)nc2ccc(C(=O)Nc3cccc(C(=O)OC(C)(C)C)c3)cc21.CCn1c(C(O)(c2ccc(CO)cc2)C(F)(F)F)nc2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc21.CCn1c(C(O)(c2ccc(CO)cc2)C(F)(F)F)nc2ccc(C(=O)Nc3cccc(C)c3)cc21.

What is the InChIKey of N-(3-acetylphenyl)-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;tert-butyl 3-[[3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carbonyl]amino]benzoate;2-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-hydroxyethyl]-3-ethyl-N-(3-methylphenyl)benzimidazole-5-carboxamide;N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide?

The InChIKey is NLLKPIVXCNZEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N3O5.C29H30F3N3O2.C28H27F3N4O5S.C27H24F3N3O4.C26H24F3N3O3/c1-5-36-24-16-19(25(38)34-22-8-6-7-20(15-22)26(39)41-28(2,3)4)11-14-23(24)35-27(36)29(40,30(31,32)33)21-12-9-18(17-37)10-13-21;1-6-35-24-17-19(25(36)33-22-9-7-8-18(2)16-22)10-15-23(24)34-26(35)28(37,29(30,31)32)21-13-11-20(12-14-21)27(3,4)5;1-2-35-24-15-18(25(37)32-20-10-12-22(13-11-20)41(39,40)34-21-8-9-21)5-14-23(24)33-26(35)27(38,28(29,30)31)19-6-3-17(16-36)4-7-19;1-3-33-23-14-19(24(36)31-21-6-4-5-18(13-21)16(2)35)9-12-22(23)32-25(33)26(37,27(28,29)30)20-10-7-17(15-34)8-11-20;1-3-32-22-14-18(23(34)30-20-6-4-5-16(2)13-20)9-12-21(22)31-24(32)25(35,26(27,28)29)19-10-7-17(15-33)8-11-19/h6-16,37,40H,5,17H2,1-4H3,(H,34,38);7-17,37H,6H2,1-5H3,(H,33,36);3-7,10-15,21,34,36,38H,2,8-9,16H2,1H3,(H,32,37);4-14,34,37H,3,15H2,1-2H3,(H,31,36);4-14,33,35H,3,15H2,1-2H3,(H,30,34).

What are the key properties of N-(3-acetylphenyl)-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;tert-butyl 3-[[3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carbonyl]amino]benzoate;2-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-hydroxyethyl]-3-ethyl-N-(3-methylphenyl)benzimidazole-5-carboxamide;N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide?

N-(3-acetylphenyl)-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;tert-butyl 3-[[3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carbonyl]amino]benzoate;2-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-hydroxyethyl]-3-ethyl-N-(3-methylphenyl)benzimidazole-5-carboxamide;N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide has a molecular weight of 2662.75 g/mol, XLogP of 26.02, 34 rotatable bonds, 15 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetylphenyl)-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;tert-butyl 3-[[3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carbonyl]amino]benzoate;2-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-hydroxyethyl]-3-ethyl-N-(3-methylphenyl)benzimidazole-5-carboxamide;N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 167628529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).