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-(5-chloro-6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(6-cyano-1-cyclobutyl-7-fluorobenzimidazol-2-yl)-5,5-difluoro-3,3-dimethylhexanamide;N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

C101H113ClF9N19O8 — CID 162182957

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-(5-chloro-6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(6-cyano-1-cyclobutyl-7-fluorobenzimidazol-2-yl)-5,5-difluoro-3,3-dimethylhexanamide;N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

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-(5-chloro-6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(6-cyano-1-cyclobutyl-7-fluorobenzimidazol-2-yl)-5,5-difluoro-3,3-dimethylhexanamide;N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 162182957) has the molecular formula C101H113ClF9N19O8 and a molecular weight of 1927.57 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-(5-chloro-6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(6-cyano-1-cyclobutyl-7-fluorobenzimidazol-2-yl)-5,5-difluoro-3,3-dimethylhexanamide;N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

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-(5-chloro-6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(6-cyano-1-cyclobutyl-7-fluorobenzimidazol-2-yl)-5,5-difluoro-3,3-dimethylhexanamide;N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
• PubChem CID: 162182957
• Molecular Formula: C101H113ClF9N19O8
• Molecular Weight: 1927.57 g/mol
• Exact Mass: 1925.86
• 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-(5-chloro-6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(6-cyano-1-cyclobutyl-7-fluorobenzimidazol-2-yl)-5,5-difluoro-3,3-dimethylhexanamide;N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
• SMILES: CC(C)(C)CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C1(C)CCC1.CC(F)(F)CC(C)(C)CC(=O)Nc1nc2ccc(C#N)c(F)c2n1C1CCC1.CC(O)(CC(=O)Nc1nc2c(F)cc(C#N)cc2n1C(C)(C)C)c1ccccc1F.CC(O)(CC(=O)Nc1nc2cc(Cl)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/C22H21ClN4O2.C22H22F2N4O2.C20H23F3N4O.C19H25F2N3O2.C18H22F2N4O/c1-22(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;1-21(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;1-19(2,11-20(3,22)23)9-15(28)26-18-25-14-8-7-12(10-24)16(21)17(14)27(18)13-5-4-6-13;1-18(2,3)11-15(25)23-17-22-13-7-6-12(26-16(20)21)10-14(13)24(17)19(4)8-5-9-19;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/h2-4,6-7,10-11,16,29H,5,8-9,12H2,1H3,(H,25,26,28);5-10,30H,11H2,1-4H3,(H,26,27,29);7-8,13H,4-6,9,11H2,1-3H3,(H,25,26,28);6-7,10,16H,5,8-9,11H2,1-4H3,(H,22,23,25);8H,9H2,1-6H3,(H,22,23,25)
• InChIKey: ZPHBATHAHZNYEH-UHFFFAOYSA-N
• XLogP: 23.78
• TPSA: 360.02 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1927.57
LogP ≤ 5	23.78
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

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-(5-chloro-6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(6-cyano-1-cyclobutyl-7-fluorobenzimidazol-2-yl)-5,5-difluoro-3,3-dimethylhexanamide;N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

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-(5-chloro-6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(6-cyano-1-cyclobutyl-7-fluorobenzimidazol-2-yl)-5,5-difluoro-3,3-dimethylhexanamide;N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 162182957) 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-(5-chloro-6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(6-cyano-1-cyclobutyl-7-fluorobenzimidazol-2-yl)-5,5-difluoro-3,3-dimethylhexanamide;N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

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-(5-chloro-6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(6-cyano-1-cyclobutyl-7-fluorobenzimidazol-2-yl)-5,5-difluoro-3,3-dimethylhexanamide;N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

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-(5-chloro-6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(6-cyano-1-cyclobutyl-7-fluorobenzimidazol-2-yl)-5,5-difluoro-3,3-dimethylhexanamide;N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C1(C)CCC1.CC(F)(F)CC(C)(C)CC(=O)Nc1nc2ccc(C#N)c(F)c2n1C1CCC1.CC(O)(CC(=O)Nc1nc2c(F)cc(C#N)cc2n1C(C)(C)C)c1ccccc1F.CC(O)(CC(=O)Nc1nc2cc(Cl)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-(5-chloro-6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(6-cyano-1-cyclobutyl-7-fluorobenzimidazol-2-yl)-5,5-difluoro-3,3-dimethylhexanamide;N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The InChIKey is ZPHBATHAHZNYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2.C22H22F2N4O2.C20H23F3N4O.C19H25F2N3O2.C18H22F2N4O/c1-22(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;1-21(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;1-19(2,11-20(3,22)23)9-15(28)26-18-25-14-8-7-12(10-24)16(21)17(14)27(18)13-5-4-6-13;1-18(2,3)11-15(25)23-17-22-13-7-6-12(26-16(20)21)10-14(13)24(17)19(4)8-5-9-19;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/h2-4,6-7,10-11,16,29H,5,8-9,12H2,1H3,(H,25,26,28);5-10,30H,11H2,1-4H3,(H,26,27,29);7-8,13H,4-6,9,11H2,1-3H3,(H,25,26,28);6-7,10,16H,5,8-9,11H2,1-4H3,(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-(5-chloro-6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(6-cyano-1-cyclobutyl-7-fluorobenzimidazol-2-yl)-5,5-difluoro-3,3-dimethylhexanamide;N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

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-(5-chloro-6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(6-cyano-1-cyclobutyl-7-fluorobenzimidazol-2-yl)-5,5-difluoro-3,3-dimethylhexanamide;N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 1927.57 g/mol, XLogP of 23.78, 22 rotatable bonds, 7 hydrogen bond donors, and 21 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-(5-chloro-6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(6-cyano-1-cyclobutyl-7-fluorobenzimidazol-2-yl)-5,5-difluoro-3,3-dimethylhexanamide;N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 162182957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).