N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(3-methylphenyl)butanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;bis(N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide)

C143H159F8N27O15 — CID 158351771

About N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(3-methylphenyl)butanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;bis(N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide)

N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(3-methylphenyl)butanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;bis(N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide) (PubChem CID 158351771) has the molecular formula C143H159F8N27O15 and a molecular weight of 2648.00 g/mol. Its IUPAC name is N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(3-methylphenyl)butanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;bis(N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide).

Molecular Properties

• Compound Name: N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(3-methylphenyl)butanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;bis(N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide)
• PubChem CID: 158351771
• Molecular Formula: C143H159F8N27O15
• Molecular Weight: 2648.00 g/mol
• Exact Mass: 2646.24
• IUPAC Name: N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(3-methylphenyl)butanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;bis(N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide)
• SMILES: CC(C)(O)CC(=O)Nc1nc2c(C(F)(F)F)cc(C(C)(C)O)cc2n1C1CCC1.[C-]#[N+]c1cc2c(cc1F)nc(NC(=O)CC(C)(C)O)n2C1(C)CCC1.[C-]#[N+]c1cc2c(cc1F)nc(NC(=O)CC(C)(C)O)n2C1(C)CCC1.[C-]#[N+]c1cc2c(cc1F)nc(NC(=O)CC(O)(CC)CF)n2C1(C)CCC1.[C-]#[N+]c1ccc2nc(NC(=O)C[C@@](C)(O)c3ccc(C)cc3)n(C3CCC3)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)C[C@@](C)(O)c3cccc(C)c3)n(C3CCC3)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)C[C@@](C)(O)c3ccccc3F)n(C3CCC3)c2c1
• InChI: InChI=1S/2C23H24N4O2.C22H21FN4O2.C20H26F3N3O3.C19H22F2N4O2.2C18H21FN4O2/c1-15-6-4-7-16(12-15)23(2,29)14-21(28)26-22-25-19-11-10-17(24-3)13-20(19)27(22)18-8-5-9-18;1-15-7-9-16(10-8-15)23(2,29)14-21(28)26-22-25-19-12-11-17(24-3)13-20(19)27(22)18-5-4-6-18;1-22(29,16-8-3-4-9-17(16)23)13-20(28)26-21-25-18-11-10-14(24-2)12-19(18)27(21)15-6-5-7-15;1-18(2,28)10-15(27)24-17-25-16-13(20(21,22)23)8-11(19(3,4)29)9-14(16)26(17)12-6-5-7-12;1-4-19(27,11-20)10-16(26)24-17-23-14-8-12(21)13(22-3)9-15(14)25(17)18(2)6-5-7-18;2*1-17(2,25)10-15(24)22-16-21-13-8-11(19)12(20-4)9-14(13)23(16)18(3)6-5-7-18/h4,6-7,10-13,18,29H,5,8-9,14H2,1-2H3,(H,25,26,28);7-13,18,29H,4-6,14H2,1-2H3,(H,25,26,28);3-4,8-12,15,29H,5-7,13H2,1H3,(H,25,26,28);8-9,12,28-29H,5-7,10H2,1-4H3,(H,24,25,27);8-9,27H,4-7,10-11H2,1-2H3,(H,23,24,26);2*8-9,25H,5-7,10H2,1-3H3,(H,21,22,24)/t2*23-;22-;;;;/m111..../s1
• InChIKey: GSKDDWHIQBFPCP-QKJSKCPTSA-N
• XLogP: 30.02
• TPSA: 516.44 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 29
• Rotatable Bonds: 34
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2648.00
LogP ≤ 5	30.02
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(3-methylphenyl)butanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;bis(N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide)?

The IUPAC name of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(3-methylphenyl)butanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;bis(N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide) (CID 158351771) is N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(3-methylphenyl)butanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;bis(N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide).

What is the SMILES notation for N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(3-methylphenyl)butanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;bis(N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide)?

The canonical SMILES for N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(3-methylphenyl)butanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;bis(N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide) is CC(C)(O)CC(=O)Nc1nc2c(C(F)(F)F)cc(C(C)(C)O)cc2n1C1CCC1.[C-]#[N+]c1cc2c(cc1F)nc(NC(=O)CC(C)(C)O)n2C1(C)CCC1.[C-]#[N+]c1cc2c(cc1F)nc(NC(=O)CC(C)(C)O)n2C1(C)CCC1.[C-]#[N+]c1cc2c(cc1F)nc(NC(=O)CC(O)(CC)CF)n2C1(C)CCC1.[C-]#[N+]c1ccc2nc(NC(=O)C[C@@](C)(O)c3ccc(C)cc3)n(C3CCC3)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)C[C@@](C)(O)c3cccc(C)c3)n(C3CCC3)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)C[C@@](C)(O)c3ccccc3F)n(C3CCC3)c2c1.

What is the InChIKey of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(3-methylphenyl)butanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;bis(N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide)?

The InChIKey is GSKDDWHIQBFPCP-QKJSKCPTSA-N. The full InChI is InChI=1S/2C23H24N4O2.C22H21FN4O2.C20H26F3N3O3.C19H22F2N4O2.2C18H21FN4O2/c1-15-6-4-7-16(12-15)23(2,29)14-21(28)26-22-25-19-11-10-17(24-3)13-20(19)27(22)18-8-5-9-18;1-15-7-9-16(10-8-15)23(2,29)14-21(28)26-22-25-19-12-11-17(24-3)13-20(19)27(22)18-5-4-6-18;1-22(29,16-8-3-4-9-17(16)23)13-20(28)26-21-25-18-11-10-14(24-2)12-19(18)27(21)15-6-5-7-15;1-18(2,28)10-15(27)24-17-25-16-13(20(21,22)23)8-11(19(3,4)29)9-14(16)26(17)12-6-5-7-12;1-4-19(27,11-20)10-16(26)24-17-23-14-8-12(21)13(22-3)9-15(14)25(17)18(2)6-5-7-18;2*1-17(2,25)10-15(24)22-16-21-13-8-11(19)12(20-4)9-14(13)23(16)18(3)6-5-7-18/h4,6-7,10-13,18,29H,5,8-9,14H2,1-2H3,(H,25,26,28);7-13,18,29H,4-6,14H2,1-2H3,(H,25,26,28);3-4,8-12,15,29H,5-7,13H2,1H3,(H,25,26,28);8-9,12,28-29H,5-7,10H2,1-4H3,(H,24,25,27);8-9,27H,4-7,10-11H2,1-2H3,(H,23,24,26);2*8-9,25H,5-7,10H2,1-3H3,(H,21,22,24)/t2*23-;22-;;;;/m111..../s1.

What are the key properties of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(3-methylphenyl)butanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;bis(N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide)?

N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(3-methylphenyl)butanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;bis(N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide) has a molecular weight of 2648.00 g/mol, XLogP of 30.02, 34 rotatable bonds, 15 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(3-methylphenyl)butanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;bis(N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide) is sourced from PubChem (CID 158351771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).