N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

C77H92F7N15O5 — CID 157052460

About N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 157052460) has the molecular formula C77H92F7N15O5 and a molecular weight of 1440.67 g/mol. Its IUPAC name is N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
• PubChem CID: 157052460
• Molecular Formula: C77H92F7N15O5
• Molecular Weight: 1440.67 g/mol
• Exact Mass: 1439.73
• IUPAC Name: N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
• SMILES: CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2c(F)cc(F)cc21.[C-]#[N+]c1cc(F)c2nc(NC(=O)C(C)C(C)(C)C)n(C3(C)CCC3)c2c1.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC3(C)CC3)n(C3(C)CCC3)c2c1.[C-]#[N+]c1cc(OC)c2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1
• InChI: InChI=1S/C20H25FN4O.C20H26N4O2.C19H21FN4O.C18H20F5N3O/c1-12(19(2,3)4)17(26)24-18-23-16-14(21)10-13(22-6)11-15(16)25(18)20(5)8-7-9-20;1-19(2,3)12-16(25)22-18-23-17-14(24(18)20(4)8-7-9-20)10-13(21-5)11-15(17)26-6;1-18(7-8-18)11-15(25)22-17-23-16-13(20)9-12(21-3)10-14(16)24(17)19(2)5-4-6-19;1-16(2,3)26-12-7-10(19)6-11(20)14(12)25-15(26)24-13(27)5-9-8-18(22,23)17(9,4)21/h10-12H,7-9H2,1-5H3,(H,23,24,26);10-11H,7-9,12H2,1-4,6H3,(H,22,23,25);9-10H,4-8,11H2,1-2H3,(H,22,23,25);6-7,9H,5,8H2,1-4H3,(H,24,25,27)
• InChIKey: AAJFVSTWEBBDTJ-UHFFFAOYSA-N
• XLogP: 19.65
• TPSA: 209.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1440.67
LogP ≤ 5	19.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

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-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The IUPAC name of N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 157052460) is N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

What is the SMILES notation for N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The canonical SMILES for N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2c(F)cc(F)cc21.[C-]#[N+]c1cc(F)c2nc(NC(=O)C(C)C(C)(C)C)n(C3(C)CCC3)c2c1.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC3(C)CC3)n(C3(C)CCC3)c2c1.[C-]#[N+]c1cc(OC)c2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1.

What is the InChIKey of N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The InChIKey is AAJFVSTWEBBDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O.C20H26N4O2.C19H21FN4O.C18H20F5N3O/c1-12(19(2,3)4)17(26)24-18-23-16-14(21)10-13(22-6)11-15(16)25(18)20(5)8-7-9-20;1-19(2,3)12-16(25)22-18-23-17-14(24(18)20(4)8-7-9-20)10-13(21-5)11-15(17)26-6;1-18(7-8-18)11-15(25)22-17-23-16-13(20)9-12(21-3)10-14(16)24(17)19(2)5-4-6-19;1-16(2,3)26-12-7-10(19)6-11(20)14(12)25-15(26)24-13(27)5-9-8-18(22,23)17(9,4)21/h10-12H,7-9H2,1-5H3,(H,23,24,26);10-11H,7-9,12H2,1-4,6H3,(H,22,23,25);9-10H,4-8,11H2,1-2H3,(H,22,23,25);6-7,9H,5,8H2,1-4H3,(H,24,25,27).

What are the key properties of N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 1440.67 g/mol, XLogP of 19.65, 14 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 157052460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).