N-[6-cyano-1-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide

C126H156F16N20O11 — CID 157469730

About N-[6-cyano-1-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide

N-[6-cyano-1-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide (PubChem CID 157469730) has the molecular formula C126H156F16N20O11 and a molecular weight of 2430.73 g/mol. Its IUPAC name is N-[6-cyano-1-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide.

Molecular Properties

• Compound Name: N-[6-cyano-1-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide
• PubChem CID: 157469730
• Molecular Formula: C126H156F16N20O11
• Molecular Weight: 2430.73 g/mol
• Exact Mass: 2429.20
• IUPAC Name: N-[6-cyano-1-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide
• SMILES: CC(C(=O)Nc1nc2ccc(C(C)(C)O)cc2n1C1(C)CCC1)C1(C)CC1.CC(C)(C)CC(=O)Nc1nc2ccc(C3(O)CCC3)c(C(F)(F)F)c2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(C3(O)CCC3)c(OC(F)(F)F)c2n1C1CCC1.CC(C)(O)c1ccc2nc(NC(=O)CC3CC(C)(F)C3(F)F)n(C3(C)CCC3)c2c1.CC1(F)C(CC(=O)Nc2nc3ccc(C#N)cc3n2C(C)(C)C(F)(F)F)CC1(F)F.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1
• InChI: InChI=1S/C22H28F3N3O3.2C22H28F3N3O2.C22H31N3O2.C19H18F6N4O.C19H23FN4O/c1-20(2,3)12-16(29)27-19-26-15-9-8-14(21(30)10-5-11-21)18(31-22(23,24)25)17(15)28(19)13-6-4-7-13;1-19(2,30)13-6-7-15-16(10-13)28(20(3)8-5-9-20)18(26-15)27-17(29)11-14-12-21(4,23)22(14,24)25;1-20(2,3)12-16(29)27-19-26-15-9-8-14(21(30)10-5-11-21)17(22(23,24)25)18(15)28(19)13-6-4-7-13;1-14(21(4)11-12-21)18(26)24-19-23-16-8-7-15(20(2,3)27)13-17(16)25(19)22(5)9-6-10-22;1-16(2,19(23,24)25)29-13-6-10(9-26)4-5-12(13)27-15(29)28-14(30)7-11-8-18(21,22)17(11,3)20;1-18(2,3)11-15(25)22-17-23-16-13(20)9-12(21-5)10-14(16)24(17)19(4)7-6-8-19/h8-9,13,30H,4-7,10-12H2,1-3H3,(H,26,27,29);6-7,10,14,30H,5,8-9,11-12H2,1-4H3,(H,26,27,29);8-9,13,30H,4-7,10-12H2,1-3H3,(H,26,27,29);7-8,13-14,27H,6,9-12H2,1-5H3,(H,23,24,26);4-6,11H,7-8H2,1-3H3,(H,27,28,30);9-10H,6-8,11H2,1-4H3,(H,22,23,25)
• InChIKey: BUWTVIUILXGFTA-UHFFFAOYSA-N
• XLogP: 30.26
• TPSA: 399.82 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2430.73
LogP ≤ 5	30.26
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-1-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide?

The IUPAC name of N-[6-cyano-1-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide (CID 157469730) is N-[6-cyano-1-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide.

What is the SMILES notation for N-[6-cyano-1-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide?

The canonical SMILES for N-[6-cyano-1-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide is CC(C(=O)Nc1nc2ccc(C(C)(C)O)cc2n1C1(C)CCC1)C1(C)CC1.CC(C)(C)CC(=O)Nc1nc2ccc(C3(O)CCC3)c(C(F)(F)F)c2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(C3(O)CCC3)c(OC(F)(F)F)c2n1C1CCC1.CC(C)(O)c1ccc2nc(NC(=O)CC3CC(C)(F)C3(F)F)n(C3(C)CCC3)c2c1.CC1(F)C(CC(=O)Nc2nc3ccc(C#N)cc3n2C(C)(C)C(F)(F)F)CC1(F)F.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1.

What is the InChIKey of N-[6-cyano-1-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide?

The InChIKey is BUWTVIUILXGFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N3O3.2C22H28F3N3O2.C22H31N3O2.C19H18F6N4O.C19H23FN4O/c1-20(2,3)12-16(29)27-19-26-15-9-8-14(21(30)10-5-11-21)18(31-22(23,24)25)17(15)28(19)13-6-4-7-13;1-19(2,30)13-6-7-15-16(10-13)28(20(3)8-5-9-20)18(26-15)27-17(29)11-14-12-21(4,23)22(14,24)25;1-20(2,3)12-16(29)27-19-26-15-9-8-14(21(30)10-5-11-21)17(22(23,24)25)18(15)28(19)13-6-4-7-13;1-14(21(4)11-12-21)18(26)24-19-23-16-8-7-15(20(2,3)27)13-17(16)25(19)22(5)9-6-10-22;1-16(2,19(23,24)25)29-13-6-10(9-26)4-5-12(13)27-15(29)28-14(30)7-11-8-18(21,22)17(11,3)20;1-18(2,3)11-15(25)22-17-23-16-13(20)9-12(21-5)10-14(16)24(17)19(4)7-6-8-19/h8-9,13,30H,4-7,10-12H2,1-3H3,(H,26,27,29);6-7,10,14,30H,5,8-9,11-12H2,1-4H3,(H,26,27,29);8-9,13,30H,4-7,10-12H2,1-3H3,(H,26,27,29);7-8,13-14,27H,6,9-12H2,1-5H3,(H,23,24,26);4-6,11H,7-8H2,1-3H3,(H,27,28,30);9-10H,6-8,11H2,1-4H3,(H,22,23,25).

What are the key properties of N-[6-cyano-1-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide?

N-[6-cyano-1-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide has a molecular weight of 2430.73 g/mol, XLogP of 30.26, 26 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-cyano-1-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide is sourced from PubChem (CID 157469730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).