3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methyl-3-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;4-[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone

C148H154F18N20O16S — CID 167649499

About 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methyl-3-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;4-[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone

3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methyl-3-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;4-[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 167649499) has the molecular formula C148H154F18N20O16S and a molecular weight of 2843.01 g/mol. Its IUPAC name is 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methyl-3-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;4-[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methyl-3-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;4-[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
• PubChem CID: 167649499
• Molecular Formula: C148H154F18N20O16S
• Molecular Weight: 2843.01 g/mol
• Exact Mass: 2841.13
• IUPAC Name: 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methyl-3-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;4-[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
• SMILES: CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)N3CCN(c4ccc(C)cc4)C(=O)C3)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)N3CC[C@@H](C)C3)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)NC(CO)CC(C)C)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)NCC(C)C)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)NCCN3CCCC3)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)Nc3ccc(C)c(S(C)(=O)=O)c3)cc21
• InChI: InChI=1S/C29H27F3N4O3.C26H24F3N3O4S.C24H27F3N4O2.C24H28F3N3O3.C23H24F3N3O2.C22H24F3N3O2/c1-3-35-24-17-20(26(38)34-15-16-36(25(37)18-34)22-12-9-19(2)10-13-22)11-14-23(24)33-27(35)28(39,29(30,31)32)21-7-5-4-6-8-21;1-4-32-21-14-17(23(33)30-19-12-10-16(2)22(15-19)37(3,35)36)11-13-20(21)31-24(32)25(34,26(27,28)29)18-8-6-5-7-9-18;1-2-31-20-16-17(21(32)28-12-15-30-13-6-7-14-30)10-11-19(20)29-22(31)23(33,24(25,26)27)18-8-4-3-5-9-18;1-4-30-20-13-16(21(32)28-18(14-31)12-15(2)3)10-11-19(20)29-22(30)23(33,24(25,26)27)17-8-6-5-7-9-17;1-3-29-19-13-16(20(30)28-12-11-15(2)14-28)9-10-18(19)27-21(29)22(31,23(24,25)26)17-7-5-4-6-8-17;1-4-28-18-12-15(19(29)26-13-14(2)3)10-11-17(18)27-20(28)21(30,22(23,24)25)16-8-6-5-7-9-16/h4-14,17,39H,3,15-16,18H2,1-2H3;5-15,34H,4H2,1-3H3,(H,30,33);3-5,8-11,16,33H,2,6-7,12-15H2,1H3,(H,28,32);5-11,13,15,18,31,33H,4,12,14H2,1-3H3,(H,28,32);4-10,13,15,31H,3,11-12,14H2,1-2H3;5-12,14,30H,4,13H2,1-3H3,(H,26,29)/t;;;;15-,22?;/m....1./s1
• InChIKey: QJDPHQDUNDMXCP-CXAALOBYSA-N
• XLogP: 25.72
• TPSA: 463.24 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 36
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2843.01
LogP ≤ 5	25.72
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methyl-3-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;4-[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone?

The IUPAC name of 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methyl-3-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;4-[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone (CID 167649499) is 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methyl-3-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;4-[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone.

What is the SMILES notation for 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methyl-3-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;4-[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone?

The canonical SMILES for 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methyl-3-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;4-[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone is CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)N3CCN(c4ccc(C)cc4)C(=O)C3)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)N3CC[C@@H](C)C3)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)NC(CO)CC(C)C)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)NCC(C)C)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)NCCN3CCCC3)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)Nc3ccc(C)c(S(C)(=O)=O)c3)cc21.

What is the InChIKey of 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methyl-3-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;4-[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone?

The InChIKey is QJDPHQDUNDMXCP-CXAALOBYSA-N. The full InChI is InChI=1S/C29H27F3N4O3.C26H24F3N3O4S.C24H27F3N4O2.C24H28F3N3O3.C23H24F3N3O2.C22H24F3N3O2/c1-3-35-24-17-20(26(38)34-15-16-36(25(37)18-34)22-12-9-19(2)10-13-22)11-14-23(24)33-27(35)28(39,29(30,31)32)21-7-5-4-6-8-21;1-4-32-21-14-17(23(33)30-19-12-10-16(2)22(15-19)37(3,35)36)11-13-20(21)31-24(32)25(34,26(27,28)29)18-8-6-5-7-9-18;1-2-31-20-16-17(21(32)28-12-15-30-13-6-7-14-30)10-11-19(20)29-22(31)23(33,24(25,26)27)18-8-4-3-5-9-18;1-4-30-20-13-16(21(32)28-18(14-31)12-15(2)3)10-11-19(20)29-22(30)23(33,24(25,26)27)17-8-6-5-7-9-17;1-3-29-19-13-16(20(30)28-12-11-15(2)14-28)9-10-18(19)27-21(29)22(31,23(24,25)26)17-7-5-4-6-8-17;1-4-28-18-12-15(19(29)26-13-14(2)3)10-11-17(18)27-20(28)21(30,22(23,24)25)16-8-6-5-7-9-16/h4-14,17,39H,3,15-16,18H2,1-2H3;5-15,34H,4H2,1-3H3,(H,30,33);3-5,8-11,16,33H,2,6-7,12-15H2,1H3,(H,28,32);5-11,13,15,18,31,33H,4,12,14H2,1-3H3,(H,28,32);4-10,13,15,31H,3,11-12,14H2,1-2H3;5-12,14,30H,4,13H2,1-3H3,(H,26,29)/t;;;;15-,22?;/m....1./s1.

What are the key properties of 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methyl-3-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;4-[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone?

3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methyl-3-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;4-[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 2843.01 g/mol, XLogP of 25.72, 36 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methyl-3-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;4-[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;[3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazol-5-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 167649499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).