N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide

C119H145BrClF12N19O11 — CID 157195642

About N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide

N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide (PubChem CID 157195642) has the molecular formula C119H145BrClF12N19O11 and a molecular weight of 2368.97 g/mol. Its IUPAC name is N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-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-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide
• PubChem CID: 157195642
• Molecular Formula: C119H145BrClF12N19O11
• Molecular Weight: 2368.97 g/mol
• Exact Mass: 2366.06
• IUPAC Name: N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide
• SMILES: CC(C)(C)CC(=O)Nc1nc2ccc(F)c(Br)c2n1C1CCC1.CC(C)(O)c1cc(F)c2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)CC3CC(C)(F)C3(F)F)n(C3CCC3)c2c1.CC(O)(CC(=O)Nc1nc2ccc(C#N)cc2n1CC(F)(F)F)c1ccccc1.COCc1c(Cl)ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c12.[2H]C([2H])([2H])C(CC(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1)(C([2H])([2H])[2H])C([2H])([2H])C
• InChI: InChI=1S/C21H25F4N3O2.C21H26F3N3O2.C21H30FN3O2.C20H17F3N4O2.C19H26ClN3O2.C17H21BrFN3O/c1-19(2,30)11-7-14(22)17-15(8-11)28(13-5-4-6-13)18(27-17)26-16(29)9-12-10-21(24,25)20(12,3)23;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;1-6-20(2,3)12-17(26)23-19-24-18-15(22)10-13(21(4,5)27)11-16(18)25(19)14-8-7-9-14;1-19(29,14-5-3-2-4-6-14)10-17(28)26-18-25-15-8-7-13(11-24)9-16(15)27(18)12-20(21,22)23;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)9-13(23)21-16-20-12-8-7-11(19)14(18)15(12)22(16)10-5-4-6-10/h7-8,12-13,30H,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);10-11,14,27H,6-9,12H2,1-5H3,(H,23,24,26);2-9,29H,10,12H2,1H3,(H,25,26,28);8-9,12H,5-7,10-11H2,1-4H3,(H,21,22,24);7-8,10H,4-6,9H2,1-3H3,(H,20,21,23)/i;;2D3,3D3,6D2
• InChIKey: AQFIFEFBTXTWJQ-RXGBKMDRSA-N
• XLogP: 28.11
• TPSA: 395.46 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 31
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2368.97
LogP ≤ 5	28.11
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-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-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide (CID 157195642) is N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-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-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-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-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide is CC(C)(C)CC(=O)Nc1nc2ccc(F)c(Br)c2n1C1CCC1.CC(C)(O)c1cc(F)c2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)CC3CC(C)(F)C3(F)F)n(C3CCC3)c2c1.CC(O)(CC(=O)Nc1nc2ccc(C#N)cc2n1CC(F)(F)F)c1ccccc1.COCc1c(Cl)ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c12.[2H]C([2H])([2H])C(CC(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1)(C([2H])([2H])[2H])C([2H])([2H])C.

What is the InChIKey of N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide?

The InChIKey is AQFIFEFBTXTWJQ-RXGBKMDRSA-N. The full InChI is InChI=1S/C21H25F4N3O2.C21H26F3N3O2.C21H30FN3O2.C20H17F3N4O2.C19H26ClN3O2.C17H21BrFN3O/c1-19(2,30)11-7-14(22)17-15(8-11)28(13-5-4-6-13)18(27-17)26-16(29)9-12-10-21(24,25)20(12,3)23;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;1-6-20(2,3)12-17(26)23-19-24-18-15(22)10-13(21(4,5)27)11-16(18)25(19)14-8-7-9-14;1-19(29,14-5-3-2-4-6-14)10-17(28)26-18-25-15-8-7-13(11-24)9-16(15)27(18)12-20(21,22)23;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)9-13(23)21-16-20-12-8-7-11(19)14(18)15(12)22(16)10-5-4-6-10/h7-8,12-13,30H,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);10-11,14,27H,6-9,12H2,1-5H3,(H,23,24,26);2-9,29H,10,12H2,1H3,(H,25,26,28);8-9,12H,5-7,10-11H2,1-4H3,(H,21,22,24);7-8,10H,4-6,9H2,1-3H3,(H,20,21,23)/i;;2D3,3D3,6D2;;;.

What are the key properties of N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide?

N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-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 2368.97 g/mol, XLogP of 28.11, 31 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-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 157195642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).