2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide

C102H122F13N17O8 — CID 159896386

About 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide

2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide (PubChem CID 159896386) has the molecular formula C102H122F13N17O8 and a molecular weight of 1961.18 g/mol. Its IUPAC name is 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide.

Molecular Properties

• Compound Name: 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide
• PubChem CID: 159896386
• Molecular Formula: C102H122F13N17O8
• Molecular Weight: 1961.18 g/mol
• Exact Mass: 1959.95
• IUPAC Name: 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide
• SMILES: CC(C(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1)C(C)(C)C.CC(C)(O)c1ccc2nc(NC(=O)CC34CC(C3)C4)n(C3(C)CCC3)c2c1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3c(F)cc(C#N)cc32)CCC1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3ccc(F)c(F)c32)CCC1.[C-]#[N+]c1cc(OC)c2nc(NC(=O)CC3CC(C)(F)C3(F)F)n(C(C)(C)C)c2c1
• InChI: InChI=1S/C22H29N3O2.C21H30FN3O2.C20H20F4N4O.C20H23F3N4O2.C19H20F5N3O/c1-20(2,27)15-5-6-16-17(9-15)25(21(3)7-4-8-21)19(23-16)24-18(26)13-22-10-14(11-22)12-22;1-12(20(2,3)4)18(26)24-19-23-17-15(22)10-13(21(5,6)27)11-16(17)25(19)14-8-7-9-14;1-18(4-3-5-18)28-14-7-11(10-25)6-13(21)16(14)27-17(28)26-15(29)8-12-9-20(23,24)19(12,2)22;1-18(2,3)27-13-8-12(24-5)9-14(29-6)16(13)26-17(27)25-15(28)7-11-10-19(4,21)20(11,22)23;1-17(6-3-7-17)27-15-12(5-4-11(20)14(15)21)25-16(27)26-13(28)8-10-9-19(23,24)18(10,2)22/h5-6,9,14,27H,4,7-8,10-13H2,1-3H3,(H,23,24,26);10-12,14,27H,7-9H2,1-6H3,(H,23,24,26);6-7,12H,3-5,8-9H2,1-2H3,(H,26,27,29);8-9,11H,7,10H2,1-4,6H3,(H,25,26,28);4-5,10H,3,6-9H2,1-2H3,(H,25,26,28)
• InChIKey: NVJXLUKDZAPHCL-UHFFFAOYSA-N
• XLogP: 23.69
• TPSA: 312.44 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1961.18
LogP ≤ 5	23.69
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?

The IUPAC name of 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide (CID 159896386) is 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide.

What is the SMILES notation for 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?

The canonical SMILES for 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide is CC(C(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1)C(C)(C)C.CC(C)(O)c1ccc2nc(NC(=O)CC34CC(C3)C4)n(C3(C)CCC3)c2c1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3c(F)cc(C#N)cc32)CCC1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3ccc(F)c(F)c32)CCC1.[C-]#[N+]c1cc(OC)c2nc(NC(=O)CC3CC(C)(F)C3(F)F)n(C(C)(C)C)c2c1.

What is the InChIKey of 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?

The InChIKey is NVJXLUKDZAPHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2.C21H30FN3O2.C20H20F4N4O.C20H23F3N4O2.C19H20F5N3O/c1-20(2,27)15-5-6-16-17(9-15)25(21(3)7-4-8-21)19(23-16)24-18(26)13-22-10-14(11-22)12-22;1-12(20(2,3)4)18(26)24-19-23-17-15(22)10-13(21(5,6)27)11-16(17)25(19)14-8-7-9-14;1-18(4-3-5-18)28-14-7-11(10-25)6-13(21)16(14)27-17(28)26-15(29)8-12-9-20(23,24)19(12,2)22;1-18(2,3)27-13-8-12(24-5)9-14(29-6)16(13)26-17(27)25-15(28)7-11-10-19(4,21)20(11,22)23;1-17(6-3-7-17)27-15-12(5-4-11(20)14(15)21)25-16(27)26-13(28)8-10-9-19(23,24)18(10,2)22/h5-6,9,14,27H,4,7-8,10-13H2,1-3H3,(H,23,24,26);10-12,14,27H,7-9H2,1-6H3,(H,23,24,26);6-7,12H,3-5,8-9H2,1-2H3,(H,26,27,29);8-9,11H,7,10H2,1-4,6H3,(H,25,26,28);4-5,10H,3,6-9H2,1-2H3,(H,25,26,28).

What are the key properties of 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?

2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide has a molecular weight of 1961.18 g/mol, XLogP of 23.69, 21 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide is sourced from PubChem (CID 159896386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).