N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide

C101H124ClF9N16O10 — CID 157226374

About N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide

N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide (PubChem CID 157226374) has the molecular formula C101H124ClF9N16O10 and a molecular weight of 1928.64 g/mol. Its IUPAC name is N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide.

Molecular Properties

• Compound Name: N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide
• PubChem CID: 157226374
• Molecular Formula: C101H124ClF9N16O10
• Molecular Weight: 1928.64 g/mol
• Exact Mass: 1926.92
• IUPAC Name: N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide
• SMILES: CC(C)(O)c1cc(F)c2nc(NC(=O)CC3CC(C)(F)C3(F)F)n(C3CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)CC3CC(C)(F)C3(F)F)n(C3CCC3)c2c1.CC(O)(CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C1CCC1)c1ccccc1.COCc1c(Cl)ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c12.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C)n(C(C)(C)C)c2c1
• InChI: InChI=1S/C22H23F2N3O3.C21H25F4N3O2.C21H26F3N3O2.C19H26ClN3O2.C18H24N4O/c1-22(29,14-6-3-2-4-7-14)13-19(28)26-21-25-17-11-10-16(30-20(23)24)12-18(17)27(21)15-8-5-9-15;1-19(2,30)11-7-14(22)17-15(8-11)28(13-5-4-6-13)18(27-17)26-16(29)9-12-10-20(3,23)21(12,24)25;1-19(2,29)12-7-8-15-16(9-12)27(14-5-4-6-14)18(25-15)26-17(28)10-13-11-20(3,22)21(13,23)24;1-19(2,3)10-16(24)22-18-21-15-9-8-14(20)13(11-25-4)17(15)23(18)12-6-5-7-12;1-17(2,3)11-15(23)21-16-20-13-9-8-12(19-7)10-14(13)22(16)18(4,5)6/h2-4,6-7,10-12,15,20,29H,5,8-9,13H2,1H3,(H,25,26,28);7-8,12-13,30H,4-6,9-10H2,1-3H3,(H,26,27,29);7-9,13-14,29H,4-6,10-11H2,1-3H3,(H,25,26,28);8-9,12H,5-7,10-11H2,1-4H3,(H,21,22,24);8-10H,11H2,1-6H3,(H,20,21,23)
• InChIKey: ATOUPPQPEWBKIZ-UHFFFAOYSA-N
• XLogP: 23.79
• TPSA: 318.11 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1928.64
LogP ≤ 5	23.79
H-Bond Donors ≤ 5	8
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-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide?

The IUPAC name of N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide (CID 157226374) is N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide.

What is the SMILES notation for N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide?

The canonical SMILES for N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide is CC(C)(O)c1cc(F)c2nc(NC(=O)CC3CC(C)(F)C3(F)F)n(C3CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)CC3CC(C)(F)C3(F)F)n(C3CCC3)c2c1.CC(O)(CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C1CCC1)c1ccccc1.COCc1c(Cl)ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c12.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C)n(C(C)(C)C)c2c1.

What is the InChIKey of N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide?

The InChIKey is ATOUPPQPEWBKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3.C21H25F4N3O2.C21H26F3N3O2.C19H26ClN3O2.C18H24N4O/c1-22(29,14-6-3-2-4-7-14)13-19(28)26-21-25-17-11-10-16(30-20(23)24)12-18(17)27(21)15-8-5-9-15;1-19(2,30)11-7-14(22)17-15(8-11)28(13-5-4-6-13)18(27-17)26-16(29)9-12-10-20(3,23)21(12,24)25;1-19(2,29)12-7-8-15-16(9-12)27(14-5-4-6-14)18(25-15)26-17(28)10-13-11-20(3,22)21(13,23)24;1-19(2,3)10-16(24)22-18-21-15-9-8-14(20)13(11-25-4)17(15)23(18)12-6-5-7-12;1-17(2,3)11-15(23)21-16-20-13-9-8-12(19-7)10-14(13)22(16)18(4,5)6/h2-4,6-7,10-12,15,20,29H,5,8-9,13H2,1H3,(H,25,26,28);7-8,12-13,30H,4-6,9-10H2,1-3H3,(H,26,27,29);7-9,13-14,29H,4-6,10-11H2,1-3H3,(H,25,26,28);8-9,12H,5-7,10-11H2,1-4H3,(H,21,22,24);8-10H,11H2,1-6H3,(H,20,21,23).

What are the key properties of N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide?

N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide has a molecular weight of 1928.64 g/mol, XLogP of 23.79, 24 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide is sourced from PubChem (CID 157226374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).