N-(1-tert-butyl-7-cyano-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide

C95H121F10N17O8 — CID 158308836

About N-(1-tert-butyl-7-cyano-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide

N-(1-tert-butyl-7-cyano-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 158308836) has the molecular formula C95H121F10N17O8 and a molecular weight of 1819.10 g/mol. Its IUPAC name is N-(1-tert-butyl-7-cyano-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-(1-tert-butyl-7-cyano-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
• PubChem CID: 158308836
• Molecular Formula: C95H121F10N17O8
• Molecular Weight: 1819.10 g/mol
• Exact Mass: 1817.94
• IUPAC Name: N-(1-tert-butyl-7-cyano-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
• SMILES: CC(C)(C)CC(=O)Nc1nc2c(F)cc(OC(F)F)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2cc(F)cc(C#N)c2n1C(C)(C)C.CC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)cc2n1C1CC(F)(F)C1.CC(C)(C)CC(=O)Nc1nc2ccc(OCC(F)(F)F)c(F)c2n1C1CCC1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C3CC3)n(C(C)(C)C)c2c1
• InChI: InChI=1S/C20H27F2N3O2.C20H26N4O.C19H23F4N3O2.C18H22F3N3O2.C18H23FN4O/c1-18(2,3)11-16(26)24-17-23-14-7-6-12(19(4,5)27)8-15(14)25(17)13-9-20(21,22)10-13;1-19(2,3)24-16-11-14(21-6)9-10-15(16)22-18(24)23-17(25)12-20(4,5)13-7-8-13;1-18(2,3)9-14(27)25-17-24-12-7-8-13(28-10-19(21,22)23)15(20)16(12)26(17)11-5-4-6-11;1-18(2,3)9-14(25)22-17-23-15-12(19)7-11(26-16(20)21)8-13(15)24(17)10-5-4-6-10;1-17(2,3)9-14(24)22-16-21-13-8-12(19)7-11(10-20)15(13)23(16)18(4,5)6/h6-8,13,27H,9-11H2,1-5H3,(H,23,24,26);9-11,13H,7-8,12H2,1-5H3,(H,22,23,25);7-8,11H,4-6,9-10H2,1-3H3,(H,24,25,27);7-8,10,16H,4-6,9H2,1-3H3,(H,22,23,25);7-8H,9H2,1-6H3,(H,21,22,24)
• InChIKey: GNKUCLPHJSGYCI-UHFFFAOYSA-N
• XLogP: 23.98
• TPSA: 301.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1819.10
LogP ≤ 5	23.98
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-cyano-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The IUPAC name of N-(1-tert-butyl-7-cyano-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 158308836) is N-(1-tert-butyl-7-cyano-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

What is the SMILES notation for N-(1-tert-butyl-7-cyano-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The canonical SMILES for N-(1-tert-butyl-7-cyano-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2c(F)cc(OC(F)F)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2cc(F)cc(C#N)c2n1C(C)(C)C.CC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)cc2n1C1CC(F)(F)C1.CC(C)(C)CC(=O)Nc1nc2ccc(OCC(F)(F)F)c(F)c2n1C1CCC1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C3CC3)n(C(C)(C)C)c2c1.

What is the InChIKey of N-(1-tert-butyl-7-cyano-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The InChIKey is GNKUCLPHJSGYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O2.C20H26N4O.C19H23F4N3O2.C18H22F3N3O2.C18H23FN4O/c1-18(2,3)11-16(26)24-17-23-14-7-6-12(19(4,5)27)8-15(14)25(17)13-9-20(21,22)10-13;1-19(2,3)24-16-11-14(21-6)9-10-15(16)22-18(24)23-17(25)12-20(4,5)13-7-8-13;1-18(2,3)9-14(27)25-17-24-12-7-8-13(28-10-19(21,22)23)15(20)16(12)26(17)11-5-4-6-11;1-18(2,3)9-14(25)22-17-23-15-12(19)7-11(26-16(20)21)8-13(15)24(17)10-5-4-6-10;1-17(2,3)9-14(24)22-16-21-13-8-12(19)7-11(10-20)15(13)23(16)18(4,5)6/h6-8,13,27H,9-11H2,1-5H3,(H,23,24,26);9-11,13H,7-8,12H2,1-5H3,(H,22,23,25);7-8,11H,4-6,9-10H2,1-3H3,(H,24,25,27);7-8,10,16H,4-6,9H2,1-3H3,(H,22,23,25);7-8H,9H2,1-6H3,(H,21,22,24).

What are the key properties of N-(1-tert-butyl-7-cyano-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

N-(1-tert-butyl-7-cyano-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 1819.10 g/mol, XLogP of 23.98, 20 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-cyano-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 158308836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).