N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-methylbutanamide;(2S)-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide

C119H154F14N18O11 — CID 159750604

About N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-methylbutanamide;(2S)-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide

N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-methylbutanamide;(2S)-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide (PubChem CID 159750604) has the molecular formula C119H154F14N18O11 and a molecular weight of 2278.63 g/mol. Its IUPAC name is N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-methylbutanamide;(2S)-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide.

Molecular Properties

• Compound Name: N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-methylbutanamide;(2S)-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide
• PubChem CID: 159750604
• Molecular Formula: C119H154F14N18O11
• Molecular Weight: 2278.63 g/mol
• Exact Mass: 2277.18
• IUPAC Name: N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-methylbutanamide;(2S)-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide
• SMILES: CC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)cc2n1C12CC(C1)C2.CC(C)(O)c1cc(F)c2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)CC(C)(C)C3CC3)n(CC(F)(F)F)c2c1.CC(F)(F)C(C)(C)CC(=O)Nc1nc2cccc(F)c2n1C1CCC1.CC1(CC(=O)Nc2nc3c(F)cc(C(C)(C)O)cc3n2C2CCC2)CC1.C[C@H](C(=O)Nc1nc2ccc(C(C)(C)O)cc2n1CC(F)(F)F)C(C)(C)C
• InChI: InChI=1S/C21H25F4N3O2.C21H29N3O2.C20H26F3N3O2.C20H26FN3O2.C19H26F3N3O2.C18H22F3N3O/c1-19(2,30)11-7-14(22)17-15(8-11)28(13-5-4-6-13)18(27-17)26-16(29)9-12-10-21(24,25)20(12,3)23;1-19(2,3)12-17(25)23-18-22-15-7-6-14(20(4,5)26)8-16(15)24(18)21-9-13(10-21)11-21;1-18(2,12-5-6-12)10-16(27)25-17-24-14-8-7-13(19(3,4)28)9-15(14)26(17)11-20(21,22)23;1-19(2,26)12-9-14(21)17-15(10-12)24(13-5-4-6-13)18(23-17)22-16(25)11-20(3)7-8-20;1-11(17(2,3)4)15(26)24-16-23-13-8-7-12(18(5,6)27)9-14(13)25(16)10-19(20,21)22;1-17(2,18(3,20)21)10-14(25)23-16-22-13-9-5-8-12(19)15(13)24(16)11-6-4-7-11/h7-8,12-13,30H,4-6,9-10H2,1-3H3,(H,26,27,29);6-8,13,26H,9-12H2,1-5H3,(H,22,23,25);7-9,12,28H,5-6,10-11H2,1-4H3,(H,24,25,27);9-10,13,26H,4-8,11H2,1-3H3,(H,22,23,25);7-9,11,27H,10H2,1-6H3,(H,23,24,26);5,8-9,11H,4,6-7,10H2,1-3H3,(H,22,23,25)/t;;;;11-;/m....1./s1
• InChIKey: NDPIKCURTMEZCH-ULQZELJQSA-N
• XLogP: 27.19
• TPSA: 382.67 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 29
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2278.63
LogP ≤ 5	27.19
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-methylbutanamide;(2S)-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide?

The IUPAC name of N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-methylbutanamide;(2S)-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide (CID 159750604) is N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-methylbutanamide;(2S)-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide.

What is the SMILES notation for N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-methylbutanamide;(2S)-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide?

The canonical SMILES for N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-methylbutanamide;(2S)-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)cc2n1C12CC(C1)C2.CC(C)(O)c1cc(F)c2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)CC(C)(C)C3CC3)n(CC(F)(F)F)c2c1.CC(F)(F)C(C)(C)CC(=O)Nc1nc2cccc(F)c2n1C1CCC1.CC1(CC(=O)Nc2nc3c(F)cc(C(C)(C)O)cc3n2C2CCC2)CC1.C[C@H](C(=O)Nc1nc2ccc(C(C)(C)O)cc2n1CC(F)(F)F)C(C)(C)C.

What is the InChIKey of N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-methylbutanamide;(2S)-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide?

The InChIKey is NDPIKCURTMEZCH-ULQZELJQSA-N. The full InChI is InChI=1S/C21H25F4N3O2.C21H29N3O2.C20H26F3N3O2.C20H26FN3O2.C19H26F3N3O2.C18H22F3N3O/c1-19(2,30)11-7-14(22)17-15(8-11)28(13-5-4-6-13)18(27-17)26-16(29)9-12-10-21(24,25)20(12,3)23;1-19(2,3)12-17(25)23-18-22-15-7-6-14(20(4,5)26)8-16(15)24(18)21-9-13(10-21)11-21;1-18(2,12-5-6-12)10-16(27)25-17-24-14-8-7-13(19(3,4)28)9-15(14)26(17)11-20(21,22)23;1-19(2,26)12-9-14(21)17-15(10-12)24(13-5-4-6-13)18(23-17)22-16(25)11-20(3)7-8-20;1-11(17(2,3)4)15(26)24-16-23-13-8-7-12(18(5,6)27)9-14(13)25(16)10-19(20,21)22;1-17(2,18(3,20)21)10-14(25)23-16-22-13-9-5-8-12(19)15(13)24(16)11-6-4-7-11/h7-8,12-13,30H,4-6,9-10H2,1-3H3,(H,26,27,29);6-8,13,26H,9-12H2,1-5H3,(H,22,23,25);7-9,12,28H,5-6,10-11H2,1-4H3,(H,24,25,27);9-10,13,26H,4-8,11H2,1-3H3,(H,22,23,25);7-9,11,27H,10H2,1-6H3,(H,23,24,26);5,8-9,11H,4,6-7,10H2,1-3H3,(H,22,23,25)/t;;;;11-;/m....1./s1.

What are the key properties of N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-methylbutanamide;(2S)-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide?

N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-methylbutanamide;(2S)-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide has a molecular weight of 2278.63 g/mol, XLogP of 27.19, 29 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-methylbutanamide;(2S)-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide is sourced from PubChem (CID 159750604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).