N-[7-cyano-5-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

C80H83F13N16O4 — CID 158120024

About N-[7-cyano-5-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-[7-cyano-5-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 (PubChem CID 158120024) has the molecular formula C80H83F13N16O4 and a molecular weight of 1579.63 g/mol. Its IUPAC name is N-[7-cyano-5-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.

Molecular Properties

• Compound Name: N-[7-cyano-5-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
• PubChem CID: 158120024
• Molecular Formula: C80H83F13N16O4
• Molecular Weight: 1579.63 g/mol
• Exact Mass: 1578.66
• IUPAC Name: N-[7-cyano-5-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
• SMILES: CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3cc(F)cc(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
• InChI: InChI=1S/C20H19F5N4O.C20H20F4N4O.2C20H22F2N4O/c1-18(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(4-3-5-18)28-16-11(10-25)6-13(21)8-14(16)26-17(28)27-15(29)7-12-9-20(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/h8,10H,4-7,9H2,1-2H3,(H,27,28,30);6,8,12H,3-5,7,9H2,1-2H3,(H,26,27,29);2*10-11H,5-9H2,1-3H3,(H,24,25,27)
• InChIKey: FRMMCEUAOCKUJS-UHFFFAOYSA-N
• XLogP: 20.41
• TPSA: 224.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1579.63
LogP ≤ 5	20.41
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-[7-cyano-5-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?

The IUPAC name of N-[7-cyano-5-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 (CID 158120024) is N-[7-cyano-5-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.

What is the SMILES notation for N-[7-cyano-5-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?

The canonical SMILES for N-[7-cyano-5-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 is CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3cc(F)cc(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.

What is the InChIKey of N-[7-cyano-5-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?

The InChIKey is FRMMCEUAOCKUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N4O.C20H20F4N4O.2C20H22F2N4O/c1-18(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(4-3-5-18)28-16-11(10-25)6-13(21)8-14(16)26-17(28)27-15(29)7-12-9-20(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/h8,10H,4-7,9H2,1-2H3,(H,27,28,30);6,8,12H,3-5,7,9H2,1-2H3,(H,26,27,29);2*10-11H,5-9H2,1-3H3,(H,24,25,27).

What are the key properties of N-[7-cyano-5-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-[7-cyano-5-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 has a molecular weight of 1579.63 g/mol, XLogP of 20.41, 16 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-cyano-5-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 is sourced from PubChem (CID 158120024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).