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

C117H130F14N24O6 — CID 158708417

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

N-(1-tert-butyl-6-cyano-4,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-cyano-4,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);bis(N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide) (PubChem CID 158708417) has the molecular formula C117H130F14N24O6 and a molecular weight of 2234.46 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-4,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);bis(N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide).

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-4,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);bis(N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide)
• PubChem CID: 158708417
• Molecular Formula: C117H130F14N24O6
• Molecular Weight: 2234.46 g/mol
• Exact Mass: 2233.04
• IUPAC Name: N-(1-tert-butyl-6-cyano-4,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-cyano-4,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);bis(N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide)
• SMILES: CC(C(=O)Nc1nc2c(F)cc(C#N)cc2n1C1(C)CCC1)C1(C)CC1.CC(C(=O)Nc1nc2c(F)cc(C#N)cc2n1C1(C)CCC1)C1(C)CC1.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2c(F)cc(C#N)c(F)c21.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3c(F)cc(C#N)c(F)c32)CCC1.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1
• InChI: InChI=1S/C20H19F5N4O.2C20H23FN4O.C19H19F5N4O.2C19H23FN4O/c1-18(4-3-5-18)29-16-14(22)10(9-26)6-12(21)15(16)28-17(29)27-13(30)7-11-8-20(24,25)19(11,2)23;2*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;2*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/h6,11H,3-5,7-8H2,1-2H3,(H,27,28,30);2*9-10,12H,4-8H2,1-3H3,(H,23,24,26);5,10H,6-7H2,1-4H3,(H,26,27,29);2*9-10H,6-8,11H2,1-4H3,(H,22,23,25)
• InChIKey: IIKKETWTRARVQQ-UHFFFAOYSA-N
• XLogP: 28.09
• TPSA: 385.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2234.46
LogP ≤ 5	28.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

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-4,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);bis(N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide)?

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-4,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);bis(N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide) (CID 158708417) is N-(1-tert-butyl-6-cyano-4,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-cyano-4,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);bis(N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide).

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-4,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);bis(N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide)?

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-4,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);bis(N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide) is CC(C(=O)Nc1nc2c(F)cc(C#N)cc2n1C1(C)CCC1)C1(C)CC1.CC(C(=O)Nc1nc2c(F)cc(C#N)cc2n1C1(C)CCC1)C1(C)CC1.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2c(F)cc(C#N)c(F)c21.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3c(F)cc(C#N)c(F)c32)CCC1.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1.[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-4,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);bis(N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide)?

The InChIKey is IIKKETWTRARVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N4O.2C20H23FN4O.C19H19F5N4O.2C19H23FN4O/c1-18(4-3-5-18)29-16-14(22)10(9-26)6-12(21)15(16)28-17(29)27-13(30)7-11-8-20(24,25)19(11,2)23;2*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;2*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/h6,11H,3-5,7-8H2,1-2H3,(H,27,28,30);2*9-10,12H,4-8H2,1-3H3,(H,23,24,26);5,10H,6-7H2,1-4H3,(H,26,27,29);2*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-4,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);bis(N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide)?

N-(1-tert-butyl-6-cyano-4,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-cyano-4,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);bis(N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide) has a molecular weight of 2234.46 g/mol, XLogP of 28.09, 21 rotatable bonds, 6 hydrogen bond donors, and 22 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-4,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);bis(N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide) is sourced from PubChem (CID 158708417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).