N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

C103H125F8N17O9 — CID 158079296

About N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 158079296) has the molecular formula C103H125F8N17O9 and a molecular weight of 1897.23 g/mol. Its IUPAC name is N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
• PubChem CID: 158079296
• Molecular Formula: C103H125F8N17O9
• Molecular Weight: 1897.23 g/mol
• Exact Mass: 1895.97
• IUPAC Name: N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
• SMILES: CC(C)(C)CC(=O)Nc1nc2c(F)cc(C3(O)CCC3)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(OC(F)F)c(F)c2n1C1(C)CCC1.CC(C)(O)c1ccc2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3CCC3)c2c1.CC(O)(CC(=O)Nc1nc2cc(F)c(C#N)cc2n1C1CCC1)c1ccccc1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C3CC3)n(C(C)(C)C)c2c1
• InChI: InChI=1S/C22H21FN4O2.C21H26F3N3O2.C21H28FN3O2.C20H26N4O.C19H24F3N3O2/c1-22(29,15-6-3-2-4-7-15)12-20(28)26-21-25-18-11-17(23)14(13-24)10-19(18)27(21)16-8-5-9-16;1-19(2,29)12-7-8-15-16(9-12)27(14-5-4-6-14)18(25-15)26-17(28)10-13-11-21(23,24)20(13,3)22;1-20(2,3)12-17(26)23-19-24-18-15(22)10-13(21(27)8-5-9-21)11-16(18)25(19)14-6-4-7-14;1-19(2,3)24-16-11-14(21-6)9-10-15(16)22-18(24)23-17(25)12-20(4,5)13-7-8-13;1-18(2,3)10-13(26)24-17-23-11-6-7-12(27-16(21)22)14(20)15(11)25(17)19(4)8-5-9-19/h2-4,6-7,10-11,16,29H,5,8-9,12H2,1H3,(H,25,26,28);7-9,13-14,29H,4-6,10-11H2,1-3H3,(H,25,26,28);10-11,14,27H,4-9,12H2,1-3H3,(H,23,24,26);9-11,13H,7-8,12H2,1-5H3,(H,22,23,25);6-7,16H,5,8-10H2,1-4H3,(H,23,24,26)
• InChIKey: FMTDTRSYIPQCNX-UHFFFAOYSA-N
• XLogP: 23.51
• TPSA: 332.67 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1897.23
LogP ≤ 5	23.51
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The IUPAC name of N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 158079296) is N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

What is the SMILES notation for N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The canonical SMILES for N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2c(F)cc(C3(O)CCC3)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(OC(F)F)c(F)c2n1C1(C)CCC1.CC(C)(O)c1ccc2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3CCC3)c2c1.CC(O)(CC(=O)Nc1nc2cc(F)c(C#N)cc2n1C1CCC1)c1ccccc1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C3CC3)n(C(C)(C)C)c2c1.

What is the InChIKey of N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The InChIKey is FMTDTRSYIPQCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2.C21H26F3N3O2.C21H28FN3O2.C20H26N4O.C19H24F3N3O2/c1-22(29,15-6-3-2-4-7-15)12-20(28)26-21-25-18-11-17(23)14(13-24)10-19(18)27(21)16-8-5-9-16;1-19(2,29)12-7-8-15-16(9-12)27(14-5-4-6-14)18(25-15)26-17(28)10-13-11-21(23,24)20(13,3)22;1-20(2,3)12-17(26)23-19-24-18-15(22)10-13(21(27)8-5-9-21)11-16(18)25(19)14-6-4-7-14;1-19(2,3)24-16-11-14(21-6)9-10-15(16)22-18(24)23-17(25)12-20(4,5)13-7-8-13;1-18(2,3)10-13(26)24-17-23-11-6-7-12(27-16(21)22)14(20)15(11)25(17)19(4)8-5-9-19/h2-4,6-7,10-11,16,29H,5,8-9,12H2,1H3,(H,25,26,28);7-9,13-14,29H,4-6,10-11H2,1-3H3,(H,25,26,28);10-11,14,27H,4-9,12H2,1-3H3,(H,23,24,26);9-11,13H,7-8,12H2,1-5H3,(H,22,23,25);6-7,16H,5,8-10H2,1-4H3,(H,23,24,26).

What are the key properties of N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 1897.23 g/mol, XLogP of 23.51, 23 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 158079296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).