N-(1-tert-butyl-6-cyano-4-fluorobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;N-(1-tert-butyl-4,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide

C122H141F12N21O12 — CID 157160942

About N-(1-tert-butyl-6-cyano-4-fluorobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;N-(1-tert-butyl-4,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide

N-(1-tert-butyl-6-cyano-4-fluorobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;N-(1-tert-butyl-4,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide (PubChem CID 157160942) has the molecular formula C122H141F12N21O12 and a molecular weight of 2321.58 g/mol. Its IUPAC name is N-(1-tert-butyl-6-cyano-4-fluorobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;N-(1-tert-butyl-4,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide.

Molecular Properties

• Compound Name: N-(1-tert-butyl-6-cyano-4-fluorobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;N-(1-tert-butyl-4,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
• PubChem CID: 157160942
• Molecular Formula: C122H141F12N21O12
• Molecular Weight: 2321.58 g/mol
• Exact Mass: 2320.09
• IUPAC Name: N-(1-tert-butyl-6-cyano-4-fluorobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;N-(1-tert-butyl-4,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
• SMILES: CC(C)(C)CC(=O)Nc1nc2c(F)cc(C3(O)CCC3)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2ccc(OC(F)F)c(F)c2n1C1(C)CCC1.CC(C)(O)c1ccc2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3CCC3)c2c1.CC(O)(CC(=O)Nc1nc2c(F)cc(C#N)cc2n1C(C)(C)C)c1ccccc1F.CC(O)(CC(=O)Nc1nc2cc(F)c(C#N)cc2n1C1CCC1)c1ccccc1.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C(C)(C)C)c2c1F
• InChI: InChI=1S/C22H22F2N4O2.C22H21FN4O2.C21H26F3N3O2.C21H28FN3O2.C18H22F3N3O3.C18H22F2N4O/c1-21(2,3)28-17-10-13(12-25)9-16(24)19(17)27-20(28)26-18(29)11-22(4,30)14-7-5-6-8-15(14)23;1-22(29,15-6-3-2-4-7-15)12-20(28)26-21-25-18-11-17(23)14(13-24)10-19(18)27(21)16-8-5-9-16;1-19(2,29)12-7-8-15-16(9-12)27(14-5-4-6-14)18(25-15)26-17(28)10-13-11-21(23,24)20(13,3)22;1-20(2,3)12-17(26)23-19-24-18-15(22)10-13(21(27)8-5-9-21)11-16(18)25(19)14-6-4-7-14;1-17(2,26)9-12(25)23-16-22-10-5-6-11(27-15(20)21)13(19)14(10)24(16)18(3)7-4-8-18;1-17(2,3)9-12(25)22-16-23-14-10(19)8-11(21-7)13(20)15(14)24(16)18(4,5)6/h5-10,30H,11H2,1-4H3,(H,26,27,29);2-4,6-7,10-11,16,29H,5,8-9,12H2,1H3,(H,25,26,28);7-9,13-14,29H,4-6,10-11H2,1-3H3,(H,25,26,28);10-11,14,27H,4-9,12H2,1-3H3,(H,23,24,26);5-6,15,26H,4,7-9H2,1-3H3,(H,22,23,25);8H,9H2,1-6H3,(H,22,23,25)
• InChIKey: AMJFPXIZTYUPAG-UHFFFAOYSA-N
• XLogP: 26.30
• TPSA: 443.84 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2321.58
LogP ≤ 5	26.30
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

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-fluorobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;N-(1-tert-butyl-4,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?

The IUPAC name of N-(1-tert-butyl-6-cyano-4-fluorobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;N-(1-tert-butyl-4,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide (CID 157160942) is N-(1-tert-butyl-6-cyano-4-fluorobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;N-(1-tert-butyl-4,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide.

What is the SMILES notation for N-(1-tert-butyl-6-cyano-4-fluorobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;N-(1-tert-butyl-4,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?

The canonical SMILES for N-(1-tert-butyl-6-cyano-4-fluorobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;N-(1-tert-butyl-4,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide is CC(C)(C)CC(=O)Nc1nc2c(F)cc(C3(O)CCC3)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2ccc(OC(F)F)c(F)c2n1C1(C)CCC1.CC(C)(O)c1ccc2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3CCC3)c2c1.CC(O)(CC(=O)Nc1nc2c(F)cc(C#N)cc2n1C(C)(C)C)c1ccccc1F.CC(O)(CC(=O)Nc1nc2cc(F)c(C#N)cc2n1C1CCC1)c1ccccc1.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C(C)(C)C)c2c1F.

What is the InChIKey of N-(1-tert-butyl-6-cyano-4-fluorobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;N-(1-tert-butyl-4,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?

The InChIKey is AMJFPXIZTYUPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2.C22H21FN4O2.C21H26F3N3O2.C21H28FN3O2.C18H22F3N3O3.C18H22F2N4O/c1-21(2,3)28-17-10-13(12-25)9-16(24)19(17)27-20(28)26-18(29)11-22(4,30)14-7-5-6-8-15(14)23;1-22(29,15-6-3-2-4-7-15)12-20(28)26-21-25-18-11-17(23)14(13-24)10-19(18)27(21)16-8-5-9-16;1-19(2,29)12-7-8-15-16(9-12)27(14-5-4-6-14)18(25-15)26-17(28)10-13-11-21(23,24)20(13,3)22;1-20(2,3)12-17(26)23-19-24-18-15(22)10-13(21(27)8-5-9-21)11-16(18)25(19)14-6-4-7-14;1-17(2,26)9-12(25)23-16-22-10-5-6-11(27-15(20)21)13(19)14(10)24(16)18(3)7-4-8-18;1-17(2,3)9-12(25)22-16-23-14-10(19)8-11(21-7)13(20)15(14)24(16)18(4,5)6/h5-10,30H,11H2,1-4H3,(H,26,27,29);2-4,6-7,10-11,16,29H,5,8-9,12H2,1H3,(H,25,26,28);7-9,13-14,29H,4-6,10-11H2,1-3H3,(H,25,26,28);10-11,14,27H,4-9,12H2,1-3H3,(H,23,24,26);5-6,15,26H,4,7-9H2,1-3H3,(H,22,23,25);8H,9H2,1-6H3,(H,22,23,25).

What are the key properties of N-(1-tert-butyl-6-cyano-4-fluorobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;N-(1-tert-butyl-4,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?

N-(1-tert-butyl-6-cyano-4-fluorobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;N-(1-tert-butyl-4,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide has a molecular weight of 2321.58 g/mol, XLogP of 26.30, 26 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-tert-butyl-6-cyano-4-fluorobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;N-(1-tert-butyl-4,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 157160942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).