N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(7-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-[cyclopropyl(hydroxy)methyl]-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4,7-difluoro-6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;methyl 2-[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)-5-fluorobenzimidazol-4-yl]acetate

C239H302ClF16N39O23 — CID 161161974

IUPACN-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(7-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-[cyclopropyl(hydroxy)methyl]-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4,7-difluoro-6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;methyl 2-[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)-5-fluorobenzimidazol-4-yl]acetate
SMILESCC(C)(C)CC(=O)Nc1nc2c(F)cc(C(C)(C)O)c(F)c2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2c(F)cc(C(C)(C)O)c(F)c2n1CC(F)(F)F.CC(C)(C)CC(=O)Nc1nc2c(F)cc(C(O)C3CC3)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2cc(F)ccc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(Cl)c(C#N)c2n1C1CCC1.CC(C)(O)c1ccc2nc(NC(=O)CC3CC(C)(F)C3(F)F)n(C3CCC3)c2c1.CC(O)(CC(=O)Nc1nc2cc(F)cc(C#N)c2n1C1CCC1)c1ccccc1.COC(=O)Cc1c(F)ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c12.COc1cccc2nc(NC(=O)CC(C)(O)c3ccccc3)n(C3CCC3)c12.C[C@H](C(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1)C(C)(C)C.[2H]C([2H])([2H])C(CC(=O)Nc1nc2ccc(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)c2c1F
InChIInChI=1S/C22H21FN4O2.C22H25N3O3.C21H26F3N3O2.C21H28FN3O2.C21H30FN3O2.C21H31N3O2.C20H27F2N3O2.C20H26FN3O3.C18H21ClN4O.C18H22F5N3O2.C18H23FN4O.C17H22FN3O/c1-22(29,15-6-3-2-4-7-15)12-19(28)26-21-25-18-11-16(23)10-14(13-24)20(18)27(21)17-8-5-9-17;1-22(27,15-8-4-3-5-9-15)14-19(26)24-21-23-17-12-7-13-18(28-2)20(17)25(21)16-10-6-11-16;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;1-21(2,3)11-17(26)23-20-24-18-15(22)9-13(19(27)12-7-8-12)10-16(18)25(20)14-5-4-6-14;1-12(20(2,3)4)18(26)24-19-23-17-15(22)10-13(21(5,6)27)11-16(17)25(19)14-8-7-9-14;1-6-20(2,3)13-18(25)23-19-22-16-11-10-14(21(4,5)26)12-17(16)24(19)15-8-7-9-15;1-19(2,3)10-14(26)23-18-24-16-13(21)9-12(20(4,5)27)15(22)17(16)25(18)11-7-6-8-11;1-20(2,3)11-16(25)23-19-22-15-9-8-14(21)13(10-17(26)27-4)18(15)24(19)12-6-5-7-12;1-18(2,3)9-15(24)22-17-21-14-8-7-13(19)12(10-20)16(14)23(17)11-5-4-6-11;1-16(2,3)7-11(27)24-15-25-13-10(19)6-9(17(4,5)28)12(20)14(13)26(15)8-18(21,22)23;1-17(2,3)10-13(24)22-16-21-12-9-8-11(20-7)14(19)15(12)23(16)18(4,5)6;1-17(2,3)10-15(22)20-16-19-13-9-11(18)7-8-14(13)21(16)12-5-4-6-12/h2-4,6-7,10-11,17,29H,5,8-9,12H2,1H3,(H,25,26,28);3-5,7-9,12-13,16,27H,6,10-11,14H2,1-2H3,(H,23,24,26);7-9,13-14,29H,4-6,10-11H2,1-3H3,(H,25,26,28);9-10,12,14,19,27H,4-8,11H2,1-3H3,(H,23,24,26);10-12,14,27H,7-9H2,1-6H3,(H,23,24,26);10-12,15,26H,6-9,13H2,1-5H3,(H,22,23,25);9,11,27H,6-8,10H2,1-5H3,(H,23,24,26);8-9,12H,5-7,10-11H2,1-4H3,(H,22,23,25);7-8,11H,4-6,9H2,1-3H3,(H,21,22,24);6,28H,7-8H2,1-5H3,(H,24,25,27);8-9H,10H2,1-6H3,(H,21,22,24);7-9,12H,4-6,10H2,1-3H3,(H,19,20,22)/t;;;;12-;;;;;;;/m....1......./s1/i;;;;;2D3,3D3,6D2;;;;;;
InChIKeyUQAOYNCBQQVWGI-QLTAEYRASA-N
MW4436.76 g/mol
LogP53.84
Rot. Bonds54

About N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(7-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-[cyclopropyl(hydroxy)methyl]-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4,7-difluoro-6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;methyl 2-[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)-5-fluorobenzimidazol-4-yl]acetate

N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(7-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-[cyclopropyl(hydroxy)methyl]-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4,7-difluoro-6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;methyl 2-[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)-5-fluorobenzimidazol-4-yl]acetate (PubChem CID 161161974) has the molecular formula C239H302ClF16N39O23 and a molecular weight of 4436.76 g/mol. Its IUPAC name is N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(7-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-[cyclopropyl(hydroxy)methyl]-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4,7-difluoro-6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;methyl 2-[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)-5-fluorobenzimidazol-4-yl]acetate.

Molecular Properties

Compound NameN-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(7-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-[cyclopropyl(hydroxy)methyl]-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4,7-difluoro-6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;methyl 2-[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)-5-fluorobenzimidazol-4-yl]acetate
PubChem CID161161974
Molecular FormulaC239H302ClF16N39O23
Molecular Weight4436.76 g/mol
Exact Mass4433.36
IUPAC NameN-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(7-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-[cyclopropyl(hydroxy)methyl]-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4,7-difluoro-6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;methyl 2-[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)-5-fluorobenzimidazol-4-yl]acetate
SMILESCC(C)(C)CC(=O)Nc1nc2c(F)cc(C(C)(C)O)c(F)c2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2c(F)cc(C(C)(C)O)c(F)c2n1CC(F)(F)F.CC(C)(C)CC(=O)Nc1nc2c(F)cc(C(O)C3CC3)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2cc(F)ccc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(Cl)c(C#N)c2n1C1CCC1.CC(C)(O)c1ccc2nc(NC(=O)CC3CC(C)(F)C3(F)F)n(C3CCC3)c2c1.CC(O)(CC(=O)Nc1nc2cc(F)cc(C#N)c2n1C1CCC1)c1ccccc1.COC(=O)Cc1c(F)ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c12.COc1cccc2nc(NC(=O)CC(C)(O)c3ccccc3)n(C3CCC3)c12.C[C@H](C(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1)C(C)(C)C.[2H]C([2H])([2H])C(CC(=O)Nc1nc2ccc(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)c2c1F
InChIInChI=1S/C22H21FN4O2.C22H25N3O3.C21H26F3N3O2.C21H28FN3O2.C21H30FN3O2.C21H31N3O2.C20H27F2N3O2.C20H26FN3O3.C18H21ClN4O.C18H22F5N3O2.C18H23FN4O.C17H22FN3O/c1-22(29,15-6-3-2-4-7-15)12-19(28)26-21-25-18-11-16(23)10-14(13-24)20(18)27(21)17-8-5-9-17;1-22(27,15-8-4-3-5-9-15)14-19(26)24-21-23-17-12-7-13-18(28-2)20(17)25(21)16-10-6-11-16;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;1-21(2,3)11-17(26)23-20-24-18-15(22)9-13(19(27)12-7-8-12)10-16(18)25(20)14-5-4-6-14;1-12(20(2,3)4)18(26)24-19-23-17-15(22)10-13(21(5,6)27)11-16(17)25(19)14-8-7-9-14;1-6-20(2,3)13-18(25)23-19-22-16-11-10-14(21(4,5)26)12-17(16)24(19)15-8-7-9-15;1-19(2,3)10-14(26)23-18-24-16-13(21)9-12(20(4,5)27)15(22)17(16)25(18)11-7-6-8-11;1-20(2,3)11-16(25)23-19-22-15-9-8-14(21)13(10-17(26)27-4)18(15)24(19)12-6-5-7-12;1-18(2,3)9-15(24)22-17-21-14-8-7-13(19)12(10-20)16(14)23(17)11-5-4-6-11;1-16(2,3)7-11(27)24-15-25-13-10(19)6-9(17(4,5)28)12(20)14(13)26(15)8-18(21,22)23;1-17(2,3)10-13(24)22-16-21-12-9-8-11(20-7)14(19)15(12)23(16)18(4,5)6;1-17(2,3)10-15(22)20-16-19-13-9-11(18)7-8-14(13)21(16)12-5-4-6-12/h2-4,6-7,10-11,17,29H,5,8-9,12H2,1H3,(H,25,26,28);3-5,7-9,12-13,16,27H,6,10-11,14H2,1-2H3,(H,23,24,26);7-9,13-14,29H,4-6,10-11H2,1-3H3,(H,25,26,28);9-10,12,14,19,27H,4-8,11H2,1-3H3,(H,23,24,26);10-12,14,27H,7-9H2,1-6H3,(H,23,24,26);10-12,15,26H,6-9,13H2,1-5H3,(H,22,23,25);9,11,27H,6-8,10H2,1-5H3,(H,23,24,26);8-9,12H,5-7,10-11H2,1-4H3,(H,22,23,25);7-8,11H,4-6,9H2,1-3H3,(H,21,22,24);6,28H,7-8H2,1-5H3,(H,24,25,27);8-9H,10H2,1-6H3,(H,21,22,24);7-9,12H,4-6,10H2,1-3H3,(H,19,20,22)/t;;;;12-;;;;;;;/m....1......./s1/i;;;;;2D3,3D3,6D2;;;;;;
InChIKeyUQAOYNCBQQVWGI-QLTAEYRASA-N
XLogP53.84
TPSA812.35 Ų
H-Bond Donors20
H-Bond Acceptors49
Rotatable Bonds54
Heavy Atoms318
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004436.76
LogP ≤ 553.84
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1049

Analyze N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(7-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-[cyclopropyl(hydroxy)methyl]-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4,7-difluoro-6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;methyl 2-[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)-5-fluorobenzimidazol-4-yl]acetate 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-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(7-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-[cyclopropyl(hydroxy)methyl]-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4,7-difluoro-6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;methyl 2-[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)-5-fluorobenzimidazol-4-yl]acetate?
The IUPAC name of N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(7-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-[cyclopropyl(hydroxy)methyl]-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4,7-difluoro-6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;methyl 2-[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)-5-fluorobenzimidazol-4-yl]acetate (CID 161161974) is N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(7-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-[cyclopropyl(hydroxy)methyl]-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4,7-difluoro-6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;methyl 2-[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)-5-fluorobenzimidazol-4-yl]acetate.
What is the SMILES notation for N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(7-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-[cyclopropyl(hydroxy)methyl]-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4,7-difluoro-6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;methyl 2-[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)-5-fluorobenzimidazol-4-yl]acetate?
The canonical SMILES for N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(7-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-[cyclopropyl(hydroxy)methyl]-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4,7-difluoro-6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;methyl 2-[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)-5-fluorobenzimidazol-4-yl]acetate is CC(C)(C)CC(=O)Nc1nc2c(F)cc(C(C)(C)O)c(F)c2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2c(F)cc(C(C)(C)O)c(F)c2n1CC(F)(F)F.CC(C)(C)CC(=O)Nc1nc2c(F)cc(C(O)C3CC3)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2cc(F)ccc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(Cl)c(C#N)c2n1C1CCC1.CC(C)(O)c1ccc2nc(NC(=O)CC3CC(C)(F)C3(F)F)n(C3CCC3)c2c1.CC(O)(CC(=O)Nc1nc2cc(F)cc(C#N)c2n1C1CCC1)c1ccccc1.COC(=O)Cc1c(F)ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c12.COc1cccc2nc(NC(=O)CC(C)(O)c3ccccc3)n(C3CCC3)c12.C[C@H](C(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1)C(C)(C)C.[2H]C([2H])([2H])C(CC(=O)Nc1nc2ccc(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)c2c1F.
What is the InChIKey of N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(7-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-[cyclopropyl(hydroxy)methyl]-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4,7-difluoro-6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;methyl 2-[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)-5-fluorobenzimidazol-4-yl]acetate?
The InChIKey is UQAOYNCBQQVWGI-QLTAEYRASA-N. The full InChI is InChI=1S/C22H21FN4O2.C22H25N3O3.C21H26F3N3O2.C21H28FN3O2.C21H30FN3O2.C21H31N3O2.C20H27F2N3O2.C20H26FN3O3.C18H21ClN4O.C18H22F5N3O2.C18H23FN4O.C17H22FN3O/c1-22(29,15-6-3-2-4-7-15)12-19(28)26-21-25-18-11-16(23)10-14(13-24)20(18)27(21)17-8-5-9-17;1-22(27,15-8-4-3-5-9-15)14-19(26)24-21-23-17-12-7-13-18(28-2)20(17)25(21)16-10-6-11-16;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;1-21(2,3)11-17(26)23-20-24-18-15(22)9-13(19(27)12-7-8-12)10-16(18)25(20)14-5-4-6-14;1-12(20(2,3)4)18(26)24-19-23-17-15(22)10-13(21(5,6)27)11-16(17)25(19)14-8-7-9-14;1-6-20(2,3)13-18(25)23-19-22-16-11-10-14(21(4,5)26)12-17(16)24(19)15-8-7-9-15;1-19(2,3)10-14(26)23-18-24-16-13(21)9-12(20(4,5)27)15(22)17(16)25(18)11-7-6-8-11;1-20(2,3)11-16(25)23-19-22-15-9-8-14(21)13(10-17(26)27-4)18(15)24(19)12-6-5-7-12;1-18(2,3)9-15(24)22-17-21-14-8-7-13(19)12(10-20)16(14)23(17)11-5-4-6-11;1-16(2,3)7-11(27)24-15-25-13-10(19)6-9(17(4,5)28)12(20)14(13)26(15)8-18(21,22)23;1-17(2,3)10-13(24)22-16-21-12-9-8-11(20-7)14(19)15(12)23(16)18(4,5)6;1-17(2,3)10-15(22)20-16-19-13-9-11(18)7-8-14(13)21(16)12-5-4-6-12/h2-4,6-7,10-11,17,29H,5,8-9,12H2,1H3,(H,25,26,28);3-5,7-9,12-13,16,27H,6,10-11,14H2,1-2H3,(H,23,24,26);7-9,13-14,29H,4-6,10-11H2,1-3H3,(H,25,26,28);9-10,12,14,19,27H,4-8,11H2,1-3H3,(H,23,24,26);10-12,14,27H,7-9H2,1-6H3,(H,23,24,26);10-12,15,26H,6-9,13H2,1-5H3,(H,22,23,25);9,11,27H,6-8,10H2,1-5H3,(H,23,24,26);8-9,12H,5-7,10-11H2,1-4H3,(H,22,23,25);7-8,11H,4-6,9H2,1-3H3,(H,21,22,24);6,28H,7-8H2,1-5H3,(H,24,25,27);8-9H,10H2,1-6H3,(H,21,22,24);7-9,12H,4-6,10H2,1-3H3,(H,19,20,22)/t;;;;12-;;;;;;;/m....1......./s1/i;;;;;2D3,3D3,6D2;;;;;;.
What are the key properties of N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(7-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-[cyclopropyl(hydroxy)methyl]-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4,7-difluoro-6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;methyl 2-[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)-5-fluorobenzimidazol-4-yl]acetate?
N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(7-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-[cyclopropyl(hydroxy)methyl]-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4,7-difluoro-6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;methyl 2-[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)-5-fluorobenzimidazol-4-yl]acetate has a molecular weight of 4436.76 g/mol, XLogP of 53.84, 54 rotatable bonds, 20 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(7-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-[cyclopropyl(hydroxy)methyl]-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4,7-difluoro-6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;methyl 2-[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)-5-fluorobenzimidazol-4-yl]acetate is sourced from PubChem (CID 161161974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).