N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-phenylmethoxybenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide

C101H127F7N16O9 — CID 158702758

About N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-phenylmethoxybenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide

N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-phenylmethoxybenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide (PubChem CID 158702758) has the molecular formula C101H127F7N16O9 and a molecular weight of 1842.22 g/mol. Its IUPAC name is N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-phenylmethoxybenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide.

Molecular Properties

• Compound Name: N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-phenylmethoxybenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide
• PubChem CID: 158702758
• Molecular Formula: C101H127F7N16O9
• Molecular Weight: 1842.22 g/mol
• Exact Mass: 1840.99
• IUPAC Name: N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-phenylmethoxybenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide
• SMILES: CC(C)(C)CC(=O)Nc1nc2c(F)cc(OCc3ccccc3)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C1CCC1.CC(C)(CC(=O)Nc1nc2c(F)cc(OC(F)F)cc2n1C1CCC1)C1CC1.CC1(CC(=O)Nc2nc3ccc(C(C)(C)O)cc3n2C2(C)CCC2)CC1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C)n(C(C)(C)C)c2c1F
• InChI: InChI=1S/C24H28FN3O2.C21H29N3O2.C20H24F3N3O2.C18H23F2N3O2.C18H23FN4O/c1-24(2,3)14-21(29)26-23-27-22-19(25)12-18(30-15-16-8-5-4-6-9-16)13-20(22)28(23)17-10-7-11-17;1-19(2,26)14-6-7-15-16(12-14)24(21(4)8-5-9-21)18(22-15)23-17(25)13-20(3)10-11-20;1-20(2,11-6-7-11)10-16(27)24-19-25-17-14(21)8-13(28-18(22)23)9-15(17)26(19)12-4-3-5-12;1-18(2,3)10-15(24)22-17-21-13-8-7-12(25-16(19)20)9-14(13)23(17)11-5-4-6-11;1-17(2,3)10-13(24)22-16-21-12-9-8-11(20-7)14(19)15(12)23(16)18(4,5)6/h4-6,8-9,12-13,17H,7,10-11,14-15H2,1-3H3,(H,26,27,29);6-7,12,26H,5,8-11,13H2,1-4H3,(H,22,23,25);8-9,11-12,18H,3-7,10H2,1-2H3,(H,24,25,27);7-9,11,16H,4-6,10H2,1-3H3,(H,21,22,24);8-9H,10H2,1-6H3,(H,21,22,24)
• InChIKey: IHTFVZOQKCDLLV-UHFFFAOYSA-N
• XLogP: 25.01
• TPSA: 286.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 25
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1842.22
LogP ≤ 5	25.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

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-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-phenylmethoxybenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide?

The IUPAC name of N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-phenylmethoxybenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide (CID 158702758) is N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-phenylmethoxybenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide.

What is the SMILES notation for N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-phenylmethoxybenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide?

The canonical SMILES for N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-phenylmethoxybenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide is CC(C)(C)CC(=O)Nc1nc2c(F)cc(OCc3ccccc3)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C1CCC1.CC(C)(CC(=O)Nc1nc2c(F)cc(OC(F)F)cc2n1C1CCC1)C1CC1.CC1(CC(=O)Nc2nc3ccc(C(C)(C)O)cc3n2C2(C)CCC2)CC1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C)n(C(C)(C)C)c2c1F.

What is the InChIKey of N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-phenylmethoxybenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide?

The InChIKey is IHTFVZOQKCDLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2.C21H29N3O2.C20H24F3N3O2.C18H23F2N3O2.C18H23FN4O/c1-24(2,3)14-21(29)26-23-27-22-19(25)12-18(30-15-16-8-5-4-6-9-16)13-20(22)28(23)17-10-7-11-17;1-19(2,26)14-6-7-15-16(12-14)24(21(4)8-5-9-21)18(22-15)23-17(25)13-20(3)10-11-20;1-20(2,11-6-7-11)10-16(27)24-19-25-17-14(21)8-13(28-18(22)23)9-15(17)26(19)12-4-3-5-12;1-18(2,3)10-15(24)22-17-21-13-8-7-12(25-16(19)20)9-14(13)23(17)11-5-4-6-11;1-17(2,3)10-13(24)22-16-21-12-9-8-11(20-7)14(19)15(12)23(16)18(4,5)6/h4-6,8-9,12-13,17H,7,10-11,14-15H2,1-3H3,(H,26,27,29);6-7,12,26H,5,8-11,13H2,1-4H3,(H,22,23,25);8-9,11-12,18H,3-7,10H2,1-2H3,(H,24,25,27);7-9,11,16H,4-6,10H2,1-3H3,(H,21,22,24);8-9H,10H2,1-6H3,(H,21,22,24).

What are the key properties of N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-phenylmethoxybenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide?

N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-phenylmethoxybenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide has a molecular weight of 1842.22 g/mol, XLogP of 25.01, 25 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-phenylmethoxybenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide is sourced from PubChem (CID 158702758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).