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-[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-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

C120H142F13N21O9 — CID 159138636

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-[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-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1)C1(C)CC1.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2ccc(F)c(F)c21.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.[C-]#[N+]c1cc(OC)c2nc(NC(=O)C34CCC(C3)C4)n(C(C)(C)C)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1C(F)(F)F
InChIInChI=1S/C22H29N3O2.C21H28FN3O2.C20H20F4N4O.C20H24N4O2.C19H21F3N4O.C18H20F5N3O/c1-20(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(21(4)8-9-21)18(26)24-19-23-17-15(22)10-13(20(2,3)27)11-16(17)25(19)14-6-5-7-14;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;1-19(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;1-18(2,3)10-14(27)25-17-24-13-9-8-12(23-4)15(19(20,21)22)16(13)26(17)11-6-5-7-11;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/h5-6,9,14,27H,4,7-8,10-13H2,1-3H3,(H,23,24,26);10-12,14,27H,5-9H2,1-4H3,(H,23,24,26);6-7,12H,3-5,8-9H2,1-2H3,(H,26,27,29);8-9,12H,6-7,10-11H2,1-3,5H3,(H,22,23,25);8-9,11H,5-7,10H2,1-3H3,(H,24,25,27);5-6,9H,7-8H2,1-4H3,(H,24,25,27)
InChIKeyKHUYMGWORZLKFK-UHFFFAOYSA-N
MW2269.57 g/mol
LogP28.42
Rot. Bonds23

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-[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-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

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-[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-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 159138636) has the molecular formula C120H142F13N21O9 and a molecular weight of 2269.57 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-[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-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

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-[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-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
PubChem CID159138636
Molecular FormulaC120H142F13N21O9
Molecular Weight2269.57 g/mol
Exact Mass2268.11
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-[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-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1)C1(C)CC1.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2ccc(F)c(F)c21.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.[C-]#[N+]c1cc(OC)c2nc(NC(=O)C34CCC(C3)C4)n(C(C)(C)C)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1C(F)(F)F
InChIInChI=1S/C22H29N3O2.C21H28FN3O2.C20H20F4N4O.C20H24N4O2.C19H21F3N4O.C18H20F5N3O/c1-20(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(21(4)8-9-21)18(26)24-19-23-17-15(22)10-13(20(2,3)27)11-16(17)25(19)14-6-5-7-14;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;1-19(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;1-18(2,3)10-14(27)25-17-24-13-9-8-12(23-4)15(19(20,21)22)16(13)26(17)11-6-5-7-11;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/h5-6,9,14,27H,4,7-8,10-13H2,1-3H3,(H,23,24,26);10-12,14,27H,5-9H2,1-4H3,(H,23,24,26);6-7,12H,3-5,8-9H2,1-2H3,(H,26,27,29);8-9,12H,6-7,10-11H2,1-3,5H3,(H,22,23,25);8-9,11H,5-7,10H2,1-3H3,(H,24,25,27);5-6,9H,7-8H2,1-4H3,(H,24,25,27)
InChIKeyKHUYMGWORZLKFK-UHFFFAOYSA-N
XLogP28.42
TPSA363.72 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002269.57
LogP ≤ 528.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

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-[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-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide with MolForge

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Related Compounds

N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 157052460
N-(1-tert-butyl-6-cyano-4-fluorobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;N-(1-tert-butyl-4,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-cyano-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
CID 157160942
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-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide
CID 157226374
N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[5,6-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 157291141
CID 157326182
CID 157326182
CID 157408138
CID 157408138
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
N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2-fluorophenyl)-3-hydroxybutanamide;N-[7-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(3,3-difluoroazetidin-1-yl)-7-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide
CID 157530310
bis(N-(1-tert-butyl-6-isocyano-5-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide);N-(1-tert-butyl-6-isocyano-5-methylbenzimidazol-2-yl)-3-fluoro-3-methylcyclobutane-1-carboxamide;N-(1-cyclobutyl-7-fluoro-5-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-6-isocyano-5-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;4,4,4-trifluoro-N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
CID 157531172
N-[6-cyano-4,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3,3-tetrafluorocyclobutyl)acetamide;N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-1-[2-(1-methylcyclopropyl)propyl]cyclopropane-1-carboxamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(2-fluoropropyl)cyclopropane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;2-(4-fluoro-2-methylphenyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide
CID 157558345
CID 157665571
CID 157665571
N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-methylbutanamide
CID 157778881

Frequently Asked Questions

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-[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-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
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-[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-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 159138636) 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-[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-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.
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-[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-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
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-[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-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1)C1(C)CC1.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2ccc(F)c(F)c21.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.[C-]#[N+]c1cc(OC)c2nc(NC(=O)C34CCC(C3)C4)n(C(C)(C)C)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1C(F)(F)F.
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-[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-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The InChIKey is KHUYMGWORZLKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2.C21H28FN3O2.C20H20F4N4O.C20H24N4O2.C19H21F3N4O.C18H20F5N3O/c1-20(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(21(4)8-9-21)18(26)24-19-23-17-15(22)10-13(20(2,3)27)11-16(17)25(19)14-6-5-7-14;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;1-19(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;1-18(2,3)10-14(27)25-17-24-13-9-8-12(23-4)15(19(20,21)22)16(13)26(17)11-6-5-7-11;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/h5-6,9,14,27H,4,7-8,10-13H2,1-3H3,(H,23,24,26);10-12,14,27H,5-9H2,1-4H3,(H,23,24,26);6-7,12H,3-5,8-9H2,1-2H3,(H,26,27,29);8-9,12H,6-7,10-11H2,1-3,5H3,(H,22,23,25);8-9,11H,5-7,10H2,1-3H3,(H,24,25,27);5-6,9H,7-8H2,1-4H3,(H,24,25,27).
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-[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-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
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-[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-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 2269.57 g/mol, XLogP of 28.42, 23 rotatable bonds, 8 hydrogen bond donors, and 22 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-[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-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 159138636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).