2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-methyl-3-pyridin-2-ylbutanamide;N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide

C221H260F27N39O17 — CID 158149728

IUPAC2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-methyl-3-pyridin-2-ylbutanamide;N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide
SMILESCC(C(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1)C(C)(C)C.CC(C)(C)CC(=O)Nc1nc2cccc(OC(F)(F)F)c2n1C1CCC1.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2ccc(F)c(F)c21.CC(C)(O)c1cc(F)c2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3(C)CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)CC34CC(C3)C4)n(C3(C)CCC3)c2c1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3c(F)cc(C#N)cc32)CCC1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3ccc(F)c(F)c32)CCC1.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1F.[C-]#[N+]c1cc(OC)c2nc(NC(=O)C34CCC(C3)C4)n(C(C)(C)C)c2c1.[C-]#[N+]c1cc(OC)c2nc(NC(=O)CC3CC(C)(F)C3(F)F)n(C(C)(C)C)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)c3ccccn3)n(C3CCC3)c2c1
InChIInChI=1S/C22H27F4N3O2.C22H23N5O.C22H29N3O2.C21H30FN3O2.C20H20F4N4O.C20H23F3N4O2.C20H24N4O2.C19H20F5N3O.C19H22F2N4O.C18H20F5N3O.C18H22F3N3O2/c1-19(2,31)12-8-14(23)17-15(9-12)29(20(3)6-5-7-20)18(28-17)27-16(30)10-13-11-22(25,26)21(13,4)24;1-22(2,19-9-4-5-12-24-19)14-20(28)26-21-25-17-11-10-15(23-3)13-18(17)27(21)16-7-6-8-16;1-20(2,27)15-5-6-16-17(9-15)25(21(3)7-4-8-21)19(23-16)24-18(26)13-22-10-14(11-22)12-22;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;1-18(4-3-5-18)28-14-7-11(10-25)6-13(21)16(14)27-17(28)26-15(29)8-12-9-20(23,24)19(12,2)22;1-18(2,3)27-13-8-12(24-5)9-14(29-6)16(13)26-17(27)25-15(28)7-11-10-19(4,21)20(11,22)23;1-19(2,3)24-14-8-13(21-4)9-15(26-5)16(14)22-18(24)23-17(25)20-7-6-12(10-20)11-20;1-17(6-3-7-17)27-15-12(5-4-11(20)14(15)21)25-16(27)26-13(28)8-10-9-19(23,24)18(10,2)22;1-18(2,3)10-13(26)23-17-24-15-11(20)9-12(22-5)14(21)16(15)25(17)19(4)7-6-8-19;1-16(2,3)26-14-11(6-5-10(19)13(14)20)24-15(26)25-12(27)7-9-8-18(22,23)17(9,4)21;1-17(2,3)10-14(25)23-16-22-12-8-5-9-13(26-18(19,20)21)15(12)24(16)11-6-4-7-11/h8-9,13,31H,5-7,10-11H2,1-4H3,(H,27,28,30);4-5,9-13,16H,6-8,14H2,1-2H3,(H,25,26,28);5-6,9,14,27H,4,7-8,10-13H2,1-3H3,(H,23,24,26);10-12,14,27H,7-9H2,1-6H3,(H,23,24,26);6-7,12H,3-5,8-9H2,1-2H3,(H,26,27,29);8-9,11H,7,10H2,1-4,6H3,(H,25,26,28);8-9,12H,6-7,10-11H2,1-3,5H3,(H,22,23,25);4-5,10H,3,6-9H2,1-2H3,(H,25,26,28);9H,6-8,10H2,1-4H3,(H,23,24,26);5-6,9H,7-8H2,1-4H3,(H,24,25,27);5,8-9,11H,4,6-7,10H2,1-3H3,(H,22,23,25)
InChIKeyFUYKWJIISQVFED-UHFFFAOYSA-N
MW4247.71 g/mol
LogP53.15
Rot. Bonds44

About 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-methyl-3-pyridin-2-ylbutanamide;N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide

2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-methyl-3-pyridin-2-ylbutanamide;N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide (PubChem CID 158149728) has the molecular formula C221H260F27N39O17 and a molecular weight of 4247.71 g/mol. Its IUPAC name is 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-methyl-3-pyridin-2-ylbutanamide;N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-methyl-3-pyridin-2-ylbutanamide;N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide
PubChem CID158149728
Molecular FormulaC221H260F27N39O17
Molecular Weight4247.71 g/mol
Exact Mass4245.02
IUPAC Name2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-methyl-3-pyridin-2-ylbutanamide;N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide
SMILESCC(C(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1)C(C)(C)C.CC(C)(C)CC(=O)Nc1nc2cccc(OC(F)(F)F)c2n1C1CCC1.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2ccc(F)c(F)c21.CC(C)(O)c1cc(F)c2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3(C)CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)CC34CC(C3)C4)n(C3(C)CCC3)c2c1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3c(F)cc(C#N)cc32)CCC1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3ccc(F)c(F)c32)CCC1.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1F.[C-]#[N+]c1cc(OC)c2nc(NC(=O)C34CCC(C3)C4)n(C(C)(C)C)c2c1.[C-]#[N+]c1cc(OC)c2nc(NC(=O)CC3CC(C)(F)C3(F)F)n(C(C)(C)C)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)c3ccccn3)n(C3CCC3)c2c1
InChIInChI=1S/C22H27F4N3O2.C22H23N5O.C22H29N3O2.C21H30FN3O2.C20H20F4N4O.C20H23F3N4O2.C20H24N4O2.C19H20F5N3O.C19H22F2N4O.C18H20F5N3O.C18H22F3N3O2/c1-19(2,31)12-8-14(23)17-15(9-12)29(20(3)6-5-7-20)18(28-17)27-16(30)10-13-11-22(25,26)21(13,4)24;1-22(2,19-9-4-5-12-24-19)14-20(28)26-21-25-17-11-10-15(23-3)13-18(17)27(21)16-7-6-8-16;1-20(2,27)15-5-6-16-17(9-15)25(21(3)7-4-8-21)19(23-16)24-18(26)13-22-10-14(11-22)12-22;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;1-18(4-3-5-18)28-14-7-11(10-25)6-13(21)16(14)27-17(28)26-15(29)8-12-9-20(23,24)19(12,2)22;1-18(2,3)27-13-8-12(24-5)9-14(29-6)16(13)26-17(27)25-15(28)7-11-10-19(4,21)20(11,22)23;1-19(2,3)24-14-8-13(21-4)9-15(26-5)16(14)22-18(24)23-17(25)20-7-6-12(10-20)11-20;1-17(6-3-7-17)27-15-12(5-4-11(20)14(15)21)25-16(27)26-13(28)8-10-9-19(23,24)18(10,2)22;1-18(2,3)10-13(26)23-17-24-15-11(20)9-12(22-5)14(21)16(15)25(17)19(4)7-6-8-19;1-16(2,3)26-14-11(6-5-10(19)13(14)20)24-15(26)25-12(27)7-9-8-18(22,23)17(9,4)21;1-17(2,3)10-14(25)23-16-22-12-8-5-9-13(26-18(19,20)21)15(12)24(16)11-6-4-7-11/h8-9,13,31H,5-7,10-11H2,1-4H3,(H,27,28,30);4-5,9-13,16H,6-8,14H2,1-2H3,(H,25,26,28);5-6,9,14,27H,4,7-8,10-13H2,1-3H3,(H,23,24,26);10-12,14,27H,7-9H2,1-6H3,(H,23,24,26);6-7,12H,3-5,8-9H2,1-2H3,(H,26,27,29);8-9,11H,7,10H2,1-4,6H3,(H,25,26,28);8-9,12H,6-7,10-11H2,1-3,5H3,(H,22,23,25);4-5,10H,3,6-9H2,1-2H3,(H,25,26,28);9H,6-8,10H2,1-4H3,(H,23,24,26);5-6,9H,7-8H2,1-4H3,(H,24,25,27);5,8-9,11H,4,6-7,10H2,1-3H3,(H,22,23,25)
InChIKeyFUYKWJIISQVFED-UHFFFAOYSA-N
XLogP53.15
TPSA658.62 Ų
H-Bond Donors14
H-Bond Acceptors41
Rotatable Bonds44
Heavy Atoms304
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004247.71
LogP ≤ 553.15
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1041

Analyze 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-methyl-3-pyridin-2-ylbutanamide;N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide with MolForge

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What is the IUPAC name of 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-methyl-3-pyridin-2-ylbutanamide;N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?
The IUPAC name of 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-methyl-3-pyridin-2-ylbutanamide;N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide (CID 158149728) is 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-methyl-3-pyridin-2-ylbutanamide;N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide.
What is the SMILES notation for 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-methyl-3-pyridin-2-ylbutanamide;N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?
The canonical SMILES for 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-methyl-3-pyridin-2-ylbutanamide;N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide is CC(C(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1)C(C)(C)C.CC(C)(C)CC(=O)Nc1nc2cccc(OC(F)(F)F)c2n1C1CCC1.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2ccc(F)c(F)c21.CC(C)(O)c1cc(F)c2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3(C)CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)CC34CC(C3)C4)n(C3(C)CCC3)c2c1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3c(F)cc(C#N)cc32)CCC1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3ccc(F)c(F)c32)CCC1.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1F.[C-]#[N+]c1cc(OC)c2nc(NC(=O)C34CCC(C3)C4)n(C(C)(C)C)c2c1.[C-]#[N+]c1cc(OC)c2nc(NC(=O)CC3CC(C)(F)C3(F)F)n(C(C)(C)C)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)c3ccccn3)n(C3CCC3)c2c1.
What is the InChIKey of 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-methyl-3-pyridin-2-ylbutanamide;N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?
The InChIKey is FUYKWJIISQVFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F4N3O2.C22H23N5O.C22H29N3O2.C21H30FN3O2.C20H20F4N4O.C20H23F3N4O2.C20H24N4O2.C19H20F5N3O.C19H22F2N4O.C18H20F5N3O.C18H22F3N3O2/c1-19(2,31)12-8-14(23)17-15(9-12)29(20(3)6-5-7-20)18(28-17)27-16(30)10-13-11-22(25,26)21(13,4)24;1-22(2,19-9-4-5-12-24-19)14-20(28)26-21-25-17-11-10-15(23-3)13-18(17)27(21)16-7-6-8-16;1-20(2,27)15-5-6-16-17(9-15)25(21(3)7-4-8-21)19(23-16)24-18(26)13-22-10-14(11-22)12-22;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;1-18(4-3-5-18)28-14-7-11(10-25)6-13(21)16(14)27-17(28)26-15(29)8-12-9-20(23,24)19(12,2)22;1-18(2,3)27-13-8-12(24-5)9-14(29-6)16(13)26-17(27)25-15(28)7-11-10-19(4,21)20(11,22)23;1-19(2,3)24-14-8-13(21-4)9-15(26-5)16(14)22-18(24)23-17(25)20-7-6-12(10-20)11-20;1-17(6-3-7-17)27-15-12(5-4-11(20)14(15)21)25-16(27)26-13(28)8-10-9-19(23,24)18(10,2)22;1-18(2,3)10-13(26)23-17-24-15-11(20)9-12(22-5)14(21)16(15)25(17)19(4)7-6-8-19;1-16(2,3)26-14-11(6-5-10(19)13(14)20)24-15(26)25-12(27)7-9-8-18(22,23)17(9,4)21;1-17(2,3)10-14(25)23-16-22-12-8-5-9-13(26-18(19,20)21)15(12)24(16)11-6-4-7-11/h8-9,13,31H,5-7,10-11H2,1-4H3,(H,27,28,30);4-5,9-13,16H,6-8,14H2,1-2H3,(H,25,26,28);5-6,9,14,27H,4,7-8,10-13H2,1-3H3,(H,23,24,26);10-12,14,27H,7-9H2,1-6H3,(H,23,24,26);6-7,12H,3-5,8-9H2,1-2H3,(H,26,27,29);8-9,11H,7,10H2,1-4,6H3,(H,25,26,28);8-9,12H,6-7,10-11H2,1-3,5H3,(H,22,23,25);4-5,10H,3,6-9H2,1-2H3,(H,25,26,28);9H,6-8,10H2,1-4H3,(H,23,24,26);5-6,9H,7-8H2,1-4H3,(H,24,25,27);5,8-9,11H,4,6-7,10H2,1-3H3,(H,22,23,25).
What are the key properties of 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-methyl-3-pyridin-2-ylbutanamide;N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?
2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-methyl-3-pyridin-2-ylbutanamide;N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide has a molecular weight of 4247.71 g/mol, XLogP of 53.15, 44 rotatable bonds, 14 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide;N-(1-tert-butyl-6-isocyano-4-methoxybenzimidazol-2-yl)-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-methyl-3-pyridin-2-ylbutanamide;N-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide is sourced from PubChem (CID 158149728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).