N-(1-tert-butyl-6-cyano-4,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-cyano-7-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide

C101H121F10N19O7 — CID 159795144

About N-(1-tert-butyl-6-cyano-4,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-cyano-7-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide

N-(1-tert-butyl-6-cyano-4,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-cyano-7-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide (PubChem CID 159795144) has the molecular formula C101H121F10N19O7 and a molecular weight of 1903.18 g/mol. Its IUPAC name is N-(1-tert-butyl-6-cyano-4,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-cyano-7-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide.

Molecular Properties

• Compound Name: N-(1-tert-butyl-6-cyano-4,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-cyano-7-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide
• PubChem CID: 159795144
• Molecular Formula: C101H121F10N19O7
• Molecular Weight: 1903.18 g/mol
• Exact Mass: 1901.95
• IUPAC Name: N-(1-tert-butyl-6-cyano-4,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-cyano-7-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide
• SMILES: CC(C(=O)Nc1nc2c(F)cc(C#N)cc2n1C1(C)CCC1)C1(C)CC1.CC(C(=O)Nc1nc2ccc(C(C)(C)O)cc2n1C1(C)CCC1)C(C)(C)C.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2c(F)cc(C#N)c(F)c21.COc1c(C#N)ccc2nc(NC(=O)CC3CC(C)(F)C3(F)F)n(C3(C)CCC3)c12.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1
• InChI: InChI=1S/C22H33N3O2.C21H23F3N4O2.C20H23FN4O.C19H19F5N4O.C19H23FN4O/c1-14(20(2,3)4)18(26)24-19-23-16-10-9-15(21(5,6)27)13-17(16)25(19)22(7)11-8-12-22;1-19(7-4-8-19)28-16-14(6-5-12(11-25)17(16)30-3)26-18(28)27-15(29)9-13-10-20(2,22)21(13,23)24;1-12(19(2)7-8-19)17(26)24-18-23-16-14(21)9-13(11-22)10-15(16)25(18)20(3)5-4-6-20;1-17(2,3)28-15-13(21)9(8-25)5-11(20)14(15)27-16(28)26-12(29)6-10-7-19(23,24)18(10,4)22;1-18(2,3)11-15(25)22-17-23-16-13(20)9-12(21-5)10-14(16)24(17)19(4)7-6-8-19/h9-10,13-14,27H,8,11-12H2,1-7H3,(H,23,24,26);5-6,13H,4,7-10H2,1-3H3,(H,26,27,29);9-10,12H,4-8H2,1-3H3,(H,23,24,26);5,10H,6-7H2,1-4H3,(H,26,27,29);9-10H,6-8,11H2,1-4H3,(H,22,23,25)
• InChIKey: NJBLPDVHSSXOCP-UHFFFAOYSA-N
• XLogP: 23.29
• TPSA: 339.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1903.18
LogP ≤ 5	23.29
H-Bond Donors ≤ 5	6
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-cyano-4,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-cyano-7-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide?

The IUPAC name of N-(1-tert-butyl-6-cyano-4,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-cyano-7-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide (CID 159795144) is N-(1-tert-butyl-6-cyano-4,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-cyano-7-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide.

What is the SMILES notation for N-(1-tert-butyl-6-cyano-4,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-cyano-7-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide?

The canonical SMILES for N-(1-tert-butyl-6-cyano-4,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-cyano-7-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide is CC(C(=O)Nc1nc2c(F)cc(C#N)cc2n1C1(C)CCC1)C1(C)CC1.CC(C(=O)Nc1nc2ccc(C(C)(C)O)cc2n1C1(C)CCC1)C(C)(C)C.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2c(F)cc(C#N)c(F)c21.COc1c(C#N)ccc2nc(NC(=O)CC3CC(C)(F)C3(F)F)n(C3(C)CCC3)c12.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1.

What is the InChIKey of N-(1-tert-butyl-6-cyano-4,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-cyano-7-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide?

The InChIKey is NJBLPDVHSSXOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2.C21H23F3N4O2.C20H23FN4O.C19H19F5N4O.C19H23FN4O/c1-14(20(2,3)4)18(26)24-19-23-16-10-9-15(21(5,6)27)13-17(16)25(19)22(7)11-8-12-22;1-19(7-4-8-19)28-16-14(6-5-12(11-25)17(16)30-3)26-18(28)27-15(29)9-13-10-20(2,22)21(13,23)24;1-12(19(2)7-8-19)17(26)24-18-23-16-14(21)9-13(11-22)10-15(16)25(18)20(3)5-4-6-20;1-17(2,3)28-15-13(21)9(8-25)5-11(20)14(15)27-16(28)26-12(29)6-10-7-19(23,24)18(10,4)22;1-18(2,3)11-15(25)22-17-23-16-13(20)9-12(21-5)10-14(16)24(17)19(4)7-6-8-19/h9-10,13-14,27H,8,11-12H2,1-7H3,(H,23,24,26);5-6,13H,4,7-10H2,1-3H3,(H,26,27,29);9-10,12H,4-8H2,1-3H3,(H,23,24,26);5,10H,6-7H2,1-4H3,(H,26,27,29);9-10H,6-8,11H2,1-4H3,(H,22,23,25).

What are the key properties of N-(1-tert-butyl-6-cyano-4,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-cyano-7-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide?

N-(1-tert-butyl-6-cyano-4,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-cyano-7-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide has a molecular weight of 1903.18 g/mol, XLogP of 23.29, 19 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-tert-butyl-6-cyano-4,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-cyano-7-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide is sourced from PubChem (CID 159795144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).