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

C101H106F16N20O6 — CID 160696081

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

N-[7-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide (PubChem CID 160696081) has the molecular formula C101H106F16N20O6 and a molecular weight of 2000.06 g/mol. Its IUPAC name is N-[7-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide.

Molecular Properties

• Compound Name: N-[7-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide
• PubChem CID: 160696081
• Molecular Formula: C101H106F16N20O6
• Molecular Weight: 2000.06 g/mol
• Exact Mass: 1998.83
• IUPAC Name: N-[7-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide
• SMILES: CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3c(F)ccc(C#N)c32)CCC1.[C-]#[N+]c1cc(F)c2nc(NC(=O)C(C)C3(C)CC3)n(C3(C)CCC3)c2c1F.[C-]#[N+]c1cc(F)c2nc(NC(=O)C(C)C3(C)CC3)n(C3(C)CCC3)c2c1F.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3(C)CCC3)c2c1F.[C-]#[N+]c1cc(OC)c2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3(C)CCC3)c2c1
• InChI: InChI=1S/C21H23F3N4O2.C20H19F5N4O.C20H20F4N4O.2C20H22F2N4O/c1-19(6-5-7-19)28-14-9-13(25-3)10-15(30-4)17(14)27-18(28)26-16(29)8-12-11-21(23,24)20(12,2)22;1-18(5-4-6-18)29-16-14(22)12(26-3)8-11(21)15(16)28-17(29)27-13(30)7-10-9-20(24,25)19(10,2)23;1-18(6-3-7-18)28-16-11(10-25)4-5-13(21)15(16)27-17(28)26-14(29)8-12-9-20(23,24)19(12,2)22;2*1-11(19(2)8-9-19)17(27)25-18-24-15-12(21)10-13(23-4)14(22)16(15)26(18)20(3)6-5-7-20/h9-10,12H,5-8,11H2,1-2,4H3,(H,26,27,29);8,10H,4-7,9H2,1-2H3,(H,27,28,30);4-5,12H,3,6-9H2,1-2H3,(H,26,27,29);2*10-11H,5-9H2,1-3H3,(H,24,25,27)
• InChIKey: RQAAIDGTVXRGKK-UHFFFAOYSA-N
• XLogP: 25.62
• TPSA: 285.06 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2000.06
LogP ≤ 5	25.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[7-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?

The IUPAC name of N-[7-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide (CID 160696081) is N-[7-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide.

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

The canonical SMILES for N-[7-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide is CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3c(F)ccc(C#N)c32)CCC1.[C-]#[N+]c1cc(F)c2nc(NC(=O)C(C)C3(C)CC3)n(C3(C)CCC3)c2c1F.[C-]#[N+]c1cc(F)c2nc(NC(=O)C(C)C3(C)CC3)n(C3(C)CCC3)c2c1F.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3(C)CCC3)c2c1F.[C-]#[N+]c1cc(OC)c2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3(C)CCC3)c2c1.

What is the InChIKey of N-[7-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?

The InChIKey is RQAAIDGTVXRGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O2.C20H19F5N4O.C20H20F4N4O.2C20H22F2N4O/c1-19(6-5-7-19)28-14-9-13(25-3)10-15(30-4)17(14)27-18(28)26-16(29)8-12-11-21(23,24)20(12,2)22;1-18(5-4-6-18)29-16-14(22)12(26-3)8-11(21)15(16)28-17(29)27-13(30)7-10-9-20(24,25)19(10,2)23;1-18(6-3-7-18)28-16-11(10-25)4-5-13(21)15(16)27-17(28)26-14(29)8-12-9-20(23,24)19(12,2)22;2*1-11(19(2)8-9-19)17(27)25-18-24-15-12(21)10-13(23-4)14(22)16(15)26(18)20(3)6-5-7-20/h9-10,12H,5-8,11H2,1-2,4H3,(H,26,27,29);8,10H,4-7,9H2,1-2H3,(H,27,28,30);4-5,12H,3,6-9H2,1-2H3,(H,26,27,29);2*10-11H,5-9H2,1-3H3,(H,24,25,27).

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

N-[7-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide has a molecular weight of 2000.06 g/mol, XLogP of 25.62, 21 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide is sourced from PubChem (CID 160696081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).