N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-(1-cyclobutyl-7-ethenyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-fluoro-4-methoxy-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]-3,3-dimethylbutanamide

C113H137Cl2F12N19O8 — CID 159446873

About N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-(1-cyclobutyl-7-ethenyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-fluoro-4-methoxy-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]-3,3-dimethylbutanamide

N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-(1-cyclobutyl-7-ethenyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-fluoro-4-methoxy-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]-3,3-dimethylbutanamide (PubChem CID 159446873) has the molecular formula C113H137Cl2F12N19O8 and a molecular weight of 2188.35 g/mol. Its IUPAC name is N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-(1-cyclobutyl-7-ethenyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-fluoro-4-methoxy-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]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-(1-cyclobutyl-7-ethenyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-fluoro-4-methoxy-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]-3,3-dimethylbutanamide
• PubChem CID: 159446873
• Molecular Formula: C113H137Cl2F12N19O8
• Molecular Weight: 2188.35 g/mol
• Exact Mass: 2186.01
• IUPAC Name: N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-(1-cyclobutyl-7-ethenyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-fluoro-4-methoxy-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]-3,3-dimethylbutanamide
• SMILES: C=Cc1c(F)ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c12.CC(C)(C)CC(=O)Nc1nc2ccc(Cl)c(F)c2n1C1(C)CCC1.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2cc(F)c(F)cc21.CC1(CC(=O)Nc2nc3ccc(Cl)c(F)c3n2C2(C)CCC2)CC1.COc1cc(F)cc2c1nc(NC(=O)CC1CC(F)(F)C1(C)F)n2C1(C)CCC1.[C-]#[N+]c1cc(OC)c2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1
• InChI: InChI=1S/C20H23F4N3O2.C20H26N4O2.C19H24FN3O.C18H21ClFN3O.C18H23ClFN3O.C18H20F5N3O/c1-18(5-4-6-18)27-13-8-12(21)9-14(29-3)16(13)26-17(27)25-15(28)7-11-10-20(23,24)19(11,2)22;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;1-5-13-14(20)9-10-15-17(13)23(12-7-6-8-12)18(21-15)22-16(24)11-19(2,3)4;1-17(8-9-17)10-13(24)22-16-21-12-5-4-11(19)14(20)15(12)23(16)18(2)6-3-7-18;1-17(2,3)10-13(24)22-16-21-12-7-6-11(19)14(20)15(12)23(16)18(4)8-5-9-18;1-16(2,3)26-13-7-11(20)10(19)6-12(13)24-15(26)25-14(27)5-9-8-18(22,23)17(9,4)21/h8-9,11H,4-7,10H2,1-3H3,(H,25,26,28);10-11H,7-9,12H2,1-4,6H3,(H,22,23,25);5,9-10,12H,1,6-8,11H2,2-4H3,(H,21,22,24);4-5H,3,6-10H2,1-2H3,(H,21,22,24);6-7H,5,8-10H2,1-4H3,(H,21,22,24);6-7,9H,5,8H2,1-4H3,(H,24,25,27)
• InChIKey: LSWDVEAMHOIDHN-UHFFFAOYSA-N
• XLogP: 29.32
• TPSA: 304.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2188.35
LogP ≤ 5	29.32
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-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-(1-cyclobutyl-7-ethenyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-fluoro-4-methoxy-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]-3,3-dimethylbutanamide?

The IUPAC name of N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-(1-cyclobutyl-7-ethenyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-fluoro-4-methoxy-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]-3,3-dimethylbutanamide (CID 159446873) is N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-(1-cyclobutyl-7-ethenyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-fluoro-4-methoxy-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]-3,3-dimethylbutanamide.

What is the SMILES notation for N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-(1-cyclobutyl-7-ethenyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-fluoro-4-methoxy-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]-3,3-dimethylbutanamide?

The canonical SMILES for N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-(1-cyclobutyl-7-ethenyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-fluoro-4-methoxy-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]-3,3-dimethylbutanamide is C=Cc1c(F)ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c12.CC(C)(C)CC(=O)Nc1nc2ccc(Cl)c(F)c2n1C1(C)CCC1.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2cc(F)c(F)cc21.CC1(CC(=O)Nc2nc3ccc(Cl)c(F)c3n2C2(C)CCC2)CC1.COc1cc(F)cc2c1nc(NC(=O)CC1CC(F)(F)C1(C)F)n2C1(C)CCC1.[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-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-(1-cyclobutyl-7-ethenyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-fluoro-4-methoxy-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]-3,3-dimethylbutanamide?

The InChIKey is LSWDVEAMHOIDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F4N3O2.C20H26N4O2.C19H24FN3O.C18H21ClFN3O.C18H23ClFN3O.C18H20F5N3O/c1-18(5-4-6-18)27-13-8-12(21)9-14(29-3)16(13)26-17(27)25-15(28)7-11-10-20(23,24)19(11,2)22;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;1-5-13-14(20)9-10-15-17(13)23(12-7-6-8-12)18(21-15)22-16(24)11-19(2,3)4;1-17(8-9-17)10-13(24)22-16-21-12-5-4-11(19)14(20)15(12)23(16)18(2)6-3-7-18;1-17(2,3)10-13(24)22-16-21-12-7-6-11(19)14(20)15(12)23(16)18(4)8-5-9-18;1-16(2,3)26-13-7-11(20)10(19)6-12(13)24-15(26)25-14(27)5-9-8-18(22,23)17(9,4)21/h8-9,11H,4-7,10H2,1-3H3,(H,25,26,28);10-11H,7-9,12H2,1-4,6H3,(H,22,23,25);5,9-10,12H,1,6-8,11H2,2-4H3,(H,21,22,24);4-5H,3,6-10H2,1-2H3,(H,21,22,24);6-7H,5,8-10H2,1-4H3,(H,21,22,24);6-7,9H,5,8H2,1-4H3,(H,24,25,27).

What are the key properties of N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-(1-cyclobutyl-7-ethenyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-fluoro-4-methoxy-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]-3,3-dimethylbutanamide?

N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-(1-cyclobutyl-7-ethenyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-fluoro-4-methoxy-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]-3,3-dimethylbutanamide has a molecular weight of 2188.35 g/mol, XLogP of 29.32, 23 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-(1-cyclobutyl-7-ethenyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-fluoro-4-methoxy-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]-3,3-dimethylbutanamide is sourced from PubChem (CID 159446873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).