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

C234H299Br2ClF18N38O22 — CID 161285224

IUPACN-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-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-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;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-fluoro-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(F)c(Br)c2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C(C)(C)C.CC(C)(CC(=O)Nc1nc2c(F)cc(OC(F)F)cc2n1C1CCC1)C1CC1.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.CC1(CC(=O)Nc2nc3ccc(C(C)(C)O)cc3n2C2(C)CCC2)CC1.COCc1c(Cl)ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c12.COCc1c(F)ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c12.COc1cc(Br)cc2c1nc(NC(=O)CC(C)(C)C)n2C1(C)CCC1.[2H]C([2H])([2H])C(CC(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1)(C([2H])([2H])[2H])C([2H])([2H])C.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C)n(C(C)(C)C)c2c1
InChIInChI=1S/C21H25F4N3O2.C21H26F3N3O2.C21H30FN3O2.C21H29N3O2.C20H17F3N4O2.C20H24F3N3O2.C19H26BrN3O2.C19H26ClN3O2.C19H26FN3O2.C18H25F2N3O2.C18H24N4O.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(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;1-19(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;1-20(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)11-15(24)21-17-22-16-13(9-12(20)10-14(16)25-5)23(17)19(4)7-6-8-19;2*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)10-14(24)22-16-21-12-8-7-11(25-15(19)20)9-13(12)23(16)18(4,5)6;1-17(2,3)11-15(23)21-16-20-13-9-8-12(19-7)10-14(13)22(16)18(4,5)6;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);6-7,12,26H,5,8-11,13H2,1-4H3,(H,22,23,25);2-9,29H,10,12H2,1H3,(H,25,26,28);8-9,11-12,18H,3-7,10H2,1-2H3,(H,24,25,27);9-10H,6-8,11H2,1-5H3,(H,21,22,24);2*8-9,12H,5-7,10-11H2,1-4H3,(H,21,22,24);7-9,15H,10H2,1-6H3,(H,21,22,24);8-10H,11H2,1-6H3,(H,20,21,23);7-8,10H,4-6,9H2,1-3H3,(H,20,21,23)/i;;2D3,3D3,6D2;;;;;;;;;
InChIKeyVFPVDULPYWIEHK-PHJGDHNJSA-N
MW4541.48 g/mol
LogP56.66
Rot. Bonds58

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

N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-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-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;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-fluoro-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide (PubChem CID 161285224) has the molecular formula C234H299Br2ClF18N38O22 and a molecular weight of 4541.48 g/mol. Its IUPAC name is N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-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-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;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-fluoro-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide.

Molecular Properties

Compound NameN-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-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-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;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-fluoro-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide
PubChem CID161285224
Molecular FormulaC234H299Br2ClF18N38O22
Molecular Weight4541.48 g/mol
Exact Mass4536.17
IUPAC NameN-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-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-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;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-fluoro-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(F)c(Br)c2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C(C)(C)C.CC(C)(CC(=O)Nc1nc2c(F)cc(OC(F)F)cc2n1C1CCC1)C1CC1.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.CC1(CC(=O)Nc2nc3ccc(C(C)(C)O)cc3n2C2(C)CCC2)CC1.COCc1c(Cl)ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c12.COCc1c(F)ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c12.COc1cc(Br)cc2c1nc(NC(=O)CC(C)(C)C)n2C1(C)CCC1.[2H]C([2H])([2H])C(CC(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1)(C([2H])([2H])[2H])C([2H])([2H])C.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C)n(C(C)(C)C)c2c1
InChIInChI=1S/C21H25F4N3O2.C21H26F3N3O2.C21H30FN3O2.C21H29N3O2.C20H17F3N4O2.C20H24F3N3O2.C19H26BrN3O2.C19H26ClN3O2.C19H26FN3O2.C18H25F2N3O2.C18H24N4O.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(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;1-19(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;1-20(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)11-15(24)21-17-22-16-13(9-12(20)10-14(16)25-5)23(17)19(4)7-6-8-19;2*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)10-14(24)22-16-21-12-8-7-11(25-15(19)20)9-13(12)23(16)18(4,5)6;1-17(2,3)11-15(23)21-16-20-13-9-8-12(19-7)10-14(13)22(16)18(4,5)6;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);6-7,12,26H,5,8-11,13H2,1-4H3,(H,22,23,25);2-9,29H,10,12H2,1H3,(H,25,26,28);8-9,11-12,18H,3-7,10H2,1-2H3,(H,24,25,27);9-10H,6-8,11H2,1-5H3,(H,21,22,24);2*8-9,12H,5-7,10-11H2,1-4H3,(H,21,22,24);7-9,15H,10H2,1-6H3,(H,21,22,24);8-10H,11H2,1-6H3,(H,20,21,23);7-8,10H,4-6,9H2,1-3H3,(H,20,21,23)/i;;2D3,3D3,6D2;;;;;;;;;
InChIKeyVFPVDULPYWIEHK-PHJGDHNJSA-N
XLogP56.66
TPSA738.49 Ų
H-Bond Donors17
H-Bond Acceptors47
Rotatable Bonds58
Heavy Atoms315
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004541.48
LogP ≤ 556.66
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1047

Analyze N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-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-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;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-fluoro-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-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-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;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-fluoro-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide?
The IUPAC name of N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-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-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;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-fluoro-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide (CID 161285224) is N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-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-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;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-fluoro-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide.
What is the SMILES notation for N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-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-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;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-fluoro-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide?
The canonical SMILES for N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-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-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;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-fluoro-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide is CC(C)(C)CC(=O)Nc1nc2ccc(F)c(Br)c2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C(C)(C)C.CC(C)(CC(=O)Nc1nc2c(F)cc(OC(F)F)cc2n1C1CCC1)C1CC1.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.CC1(CC(=O)Nc2nc3ccc(C(C)(C)O)cc3n2C2(C)CCC2)CC1.COCc1c(Cl)ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c12.COCc1c(F)ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c12.COc1cc(Br)cc2c1nc(NC(=O)CC(C)(C)C)n2C1(C)CCC1.[2H]C([2H])([2H])C(CC(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1)(C([2H])([2H])[2H])C([2H])([2H])C.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C)n(C(C)(C)C)c2c1.
What is the InChIKey of N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-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-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;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-fluoro-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide?
The InChIKey is VFPVDULPYWIEHK-PHJGDHNJSA-N. The full InChI is InChI=1S/C21H25F4N3O2.C21H26F3N3O2.C21H30FN3O2.C21H29N3O2.C20H17F3N4O2.C20H24F3N3O2.C19H26BrN3O2.C19H26ClN3O2.C19H26FN3O2.C18H25F2N3O2.C18H24N4O.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(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;1-19(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;1-20(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)11-15(24)21-17-22-16-13(9-12(20)10-14(16)25-5)23(17)19(4)7-6-8-19;2*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)10-14(24)22-16-21-12-8-7-11(25-15(19)20)9-13(12)23(16)18(4,5)6;1-17(2,3)11-15(23)21-16-20-13-9-8-12(19-7)10-14(13)22(16)18(4,5)6;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);6-7,12,26H,5,8-11,13H2,1-4H3,(H,22,23,25);2-9,29H,10,12H2,1H3,(H,25,26,28);8-9,11-12,18H,3-7,10H2,1-2H3,(H,24,25,27);9-10H,6-8,11H2,1-5H3,(H,21,22,24);2*8-9,12H,5-7,10-11H2,1-4H3,(H,21,22,24);7-9,15H,10H2,1-6H3,(H,21,22,24);8-10H,11H2,1-6H3,(H,20,21,23);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-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-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-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;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-fluoro-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide?
N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-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-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;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-fluoro-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide has a molecular weight of 4541.48 g/mol, XLogP of 56.66, 58 rotatable bonds, 17 hydrogen bond donors, and 47 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-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-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-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;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-fluoro-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide is sourced from PubChem (CID 161285224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).