N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;bis(N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide);3-cyclopropyl-N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

C152H209ClF11N21O14 — CID 159725289

IUPACN-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;bis(N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide);3-cyclopropyl-N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2c(C(F)(F)F)cc(C(C)(C)O)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2c(C(F)(F)F)cc(C(C)(C)O)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2cc(Cl)c(C(C)(C)O)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)c(F)c2n1C1(C)CCC1.CC(C)(O)c1cc(C(F)(F)F)c2nc(NC(=O)CC(C)(C)C3CC3)n(C3CCC3)c2c1.CC(C)(O)c1cc(F)c2nc(NC(=O)CC(C)(C)C3CC3)n(C3(C)CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)CC(C)(C)C3CC3)n(C3(C)CCC3)c2c1
InChIInChI=1S/C23H30F3N3O2.C23H32FN3O2.C23H33N3O2.2C21H28F3N3O2.C21H30FN3O2.C20H28ClN3O2/c1-21(2,13-8-9-13)12-18(30)27-20-28-19-16(23(24,25)26)10-14(22(3,4)31)11-17(19)29(20)15-6-5-7-15;1-21(2,14-7-8-14)13-18(28)25-20-26-19-16(24)11-15(22(3,4)29)12-17(19)27(20)23(5)9-6-10-23;1-21(2,15-7-8-15)14-19(27)25-20-24-17-10-9-16(22(3,4)28)13-18(17)26(20)23(5)11-6-12-23;2*1-19(2,3)11-16(28)25-18-26-17-14(21(22,23)24)9-12(20(4,5)29)10-15(17)27(18)13-7-6-8-13;1-19(2,3)12-15(26)24-18-23-14-9-8-13(20(4,5)27)16(22)17(14)25(18)21(6)10-7-11-21;1-19(2,3)11-17(25)23-18-22-15-10-14(21)13(20(4,5)26)9-16(15)24(18)12-7-6-8-12/h10-11,13,15,31H,5-9,12H2,1-4H3,(H,27,28,30);11-12,14,29H,6-10,13H2,1-5H3,(H,25,26,28);9-10,13,15,28H,6-8,11-12,14H2,1-5H3,(H,24,25,27);2*9-10,13,29H,6-8,11H2,1-5H3,(H,25,26,28);8-9,27H,7,10-12H2,1-6H3,(H,23,24,26);9-10,12,26H,6-8,11H2,1-5H3,(H,22,23,25)
InChIKeyNAOALLMYKQIHQJ-UHFFFAOYSA-N
MW2798.91 g/mol
LogP36.22
Rot. Bonds34

About N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;bis(N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide);3-cyclopropyl-N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;bis(N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide);3-cyclopropyl-N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 159725289) has the molecular formula C152H209ClF11N21O14 and a molecular weight of 2798.91 g/mol. Its IUPAC name is N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;bis(N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide);3-cyclopropyl-N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;bis(N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide);3-cyclopropyl-N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
PubChem CID159725289
Molecular FormulaC152H209ClF11N21O14
Molecular Weight2798.91 g/mol
Exact Mass2796.58
IUPAC NameN-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;bis(N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide);3-cyclopropyl-N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2c(C(F)(F)F)cc(C(C)(C)O)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2c(C(F)(F)F)cc(C(C)(C)O)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2cc(Cl)c(C(C)(C)O)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)c(F)c2n1C1(C)CCC1.CC(C)(O)c1cc(C(F)(F)F)c2nc(NC(=O)CC(C)(C)C3CC3)n(C3CCC3)c2c1.CC(C)(O)c1cc(F)c2nc(NC(=O)CC(C)(C)C3CC3)n(C3(C)CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)CC(C)(C)C3CC3)n(C3(C)CCC3)c2c1
InChIInChI=1S/C23H30F3N3O2.C23H32FN3O2.C23H33N3O2.2C21H28F3N3O2.C21H30FN3O2.C20H28ClN3O2/c1-21(2,13-8-9-13)12-18(30)27-20-28-19-16(23(24,25)26)10-14(22(3,4)31)11-17(19)29(20)15-6-5-7-15;1-21(2,14-7-8-14)13-18(28)25-20-26-19-16(24)11-15(22(3,4)29)12-17(19)27(20)23(5)9-6-10-23;1-21(2,15-7-8-15)14-19(27)25-20-24-17-10-9-16(22(3,4)28)13-18(17)26(20)23(5)11-6-12-23;2*1-19(2,3)11-16(28)25-18-26-17-14(21(22,23)24)9-12(20(4,5)29)10-15(17)27(18)13-7-6-8-13;1-19(2,3)12-15(26)24-18-23-14-9-8-13(20(4,5)27)16(22)17(14)25(18)21(6)10-7-11-21;1-19(2,3)11-17(25)23-18-22-15-10-14(21)13(20(4,5)26)9-16(15)24(18)12-7-6-8-12/h10-11,13,15,31H,5-9,12H2,1-4H3,(H,27,28,30);11-12,14,29H,6-10,13H2,1-5H3,(H,25,26,28);9-10,13,15,28H,6-8,11-12,14H2,1-5H3,(H,24,25,27);2*9-10,13,29H,6-8,11H2,1-5H3,(H,25,26,28);8-9,27H,7,10-12H2,1-6H3,(H,23,24,26);9-10,12,26H,6-8,11H2,1-5H3,(H,22,23,25)
InChIKeyNAOALLMYKQIHQJ-UHFFFAOYSA-N
XLogP36.22
TPSA470.05 Ų
H-Bond Donors14
H-Bond Acceptors28
Rotatable Bonds34
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002798.91
LogP ≤ 536.22
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1028

Analyze N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;bis(N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide);3-cyclopropyl-N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide with MolForge

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Related Compounds

N-(7-bromo-1-cyclobutyl-6-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[6-chloro-1-cyclobutyl-7-(methoxymethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-dideuterio-3,3-bis(trideuteriomethyl)pentanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide
CID 157195642
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
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
bis(N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;bis(N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide)
CID 157589652
N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
CID 157766785
N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(1-cyclopropyl-1-hydroxyethyl)-4-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;methyl 2-[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)-5-fluorobenzimidazol-4-yl]acetate
CID 157958724
N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 158171462
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(3-methylphenyl)butanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;bis(N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide)
CID 158351771
(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3R)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide
CID 158388639
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;bis(N-[5-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide)
CID 158974651
N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
CID 159211671
1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3-fluoro-3-methylcyclobutane-1-carboxamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3-methylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;trans-(1S,2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide
CID 159212851

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;bis(N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide);3-cyclopropyl-N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;bis(N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide);3-cyclopropyl-N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 159725289) is N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;bis(N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide);3-cyclopropyl-N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;bis(N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide);3-cyclopropyl-N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;bis(N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide);3-cyclopropyl-N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2c(C(F)(F)F)cc(C(C)(C)O)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2c(C(F)(F)F)cc(C(C)(C)O)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2cc(Cl)c(C(C)(C)O)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)c(F)c2n1C1(C)CCC1.CC(C)(O)c1cc(C(F)(F)F)c2nc(NC(=O)CC(C)(C)C3CC3)n(C3CCC3)c2c1.CC(C)(O)c1cc(F)c2nc(NC(=O)CC(C)(C)C3CC3)n(C3(C)CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)CC(C)(C)C3CC3)n(C3(C)CCC3)c2c1.
What is the InChIKey of N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;bis(N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide);3-cyclopropyl-N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The InChIKey is NAOALLMYKQIHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N3O2.C23H32FN3O2.C23H33N3O2.2C21H28F3N3O2.C21H30FN3O2.C20H28ClN3O2/c1-21(2,13-8-9-13)12-18(30)27-20-28-19-16(23(24,25)26)10-14(22(3,4)31)11-17(19)29(20)15-6-5-7-15;1-21(2,14-7-8-14)13-18(28)25-20-26-19-16(24)11-15(22(3,4)29)12-17(19)27(20)23(5)9-6-10-23;1-21(2,15-7-8-15)14-19(27)25-20-24-17-10-9-16(22(3,4)28)13-18(17)26(20)23(5)11-6-12-23;2*1-19(2,3)11-16(28)25-18-26-17-14(21(22,23)24)9-12(20(4,5)29)10-15(17)27(18)13-7-6-8-13;1-19(2,3)12-15(26)24-18-23-14-9-8-13(20(4,5)27)16(22)17(14)25(18)21(6)10-7-11-21;1-19(2,3)11-17(25)23-18-22-15-10-14(21)13(20(4,5)26)9-16(15)24(18)12-7-6-8-12/h10-11,13,15,31H,5-9,12H2,1-4H3,(H,27,28,30);11-12,14,29H,6-10,13H2,1-5H3,(H,25,26,28);9-10,13,15,28H,6-8,11-12,14H2,1-5H3,(H,24,25,27);2*9-10,13,29H,6-8,11H2,1-5H3,(H,25,26,28);8-9,27H,7,10-12H2,1-6H3,(H,23,24,26);9-10,12,26H,6-8,11H2,1-5H3,(H,22,23,25).
What are the key properties of N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;bis(N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide);3-cyclopropyl-N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;bis(N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide);3-cyclopropyl-N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 2798.91 g/mol, XLogP of 36.22, 34 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;bis(N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide);3-cyclopropyl-N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;3-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-methylbutanamide;N-[7-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 159725289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).