1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-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

C126H165F4N21O7 — CID 160890775

IUPAC1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-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
SMILESC=C(Nc1nc2ccc(C)cc2n1C1CCC1)[C@H]1CC1(C)C.Cc1ccc2nc(NC(=O)C(C)(C)C(F)(F)F)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)C3CC(C)(F)C3)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)CC(C)C)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)[C@H]3C[C@@H]3C(C)(C)O)n(C3CCC3)c2c1
InChIInChI=1S/C19H25N3O2.C19H25N3.C18H22FN3O.2C18H25N3O.C17H20F3N3O.C17H23N3O/c1-11-7-8-15-16(9-11)22(12-5-4-6-12)18(20-15)21-17(23)13-10-14(13)19(2,3)24;1-12-8-9-16-17(10-12)22(14-6-5-7-14)18(21-16)20-13(2)15-11-19(15,3)4;1-11-6-7-14-15(8-11)22(13-4-3-5-13)17(20-14)21-16(23)12-9-18(2,19)10-12;1-12-8-9-14-15(10-12)21(13-6-5-7-13)17(19-14)20-16(22)11-18(2,3)4;1-11(2)13(4)17(22)20-18-19-15-9-8-12(3)10-16(15)21(18)14-6-5-7-14;1-10-7-8-12-13(9-10)23(11-5-4-6-11)15(21-12)22-14(24)16(2,3)17(18,19)20;1-11(2)9-16(21)19-17-18-14-8-7-12(3)10-15(14)20(17)13-5-4-6-13/h7-9,12-14,24H,4-6,10H2,1-3H3,(H,20,21,23);8-10,14-15H,2,5-7,11H2,1,3-4H3,(H,20,21);6-8,12-13H,3-5,9-10H2,1-2H3,(H,20,21,23);8-10,13H,5-7,11H2,1-4H3,(H,19,20,22);8-11,13-14H,5-7H2,1-4H3,(H,19,20,22);7-9,11H,4-6H2,1-3H3,(H,21,22,24);7-8,10-11,13H,4-6,9H2,1-3H3,(H,18,19,21)/t13-,14-;15-;;;13-;;/m01..0../s1
InChIKeySOFWYACDAWVWPP-GBHFEGMMSA-N
MW2161.84 g/mol
LogP30.00
Rot. Bonds25

About 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-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

1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-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 (PubChem CID 160890775) has the molecular formula C126H165F4N21O7 and a molecular weight of 2161.84 g/mol. Its IUPAC name is 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-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.

Molecular Properties

Compound Name1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-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
PubChem CID160890775
Molecular FormulaC126H165F4N21O7
Molecular Weight2161.84 g/mol
Exact Mass2160.31
IUPAC Name1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-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
SMILESC=C(Nc1nc2ccc(C)cc2n1C1CCC1)[C@H]1CC1(C)C.Cc1ccc2nc(NC(=O)C(C)(C)C(F)(F)F)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)C3CC(C)(F)C3)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)CC(C)C)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)[C@H]3C[C@@H]3C(C)(C)O)n(C3CCC3)c2c1
InChIInChI=1S/C19H25N3O2.C19H25N3.C18H22FN3O.2C18H25N3O.C17H20F3N3O.C17H23N3O/c1-11-7-8-15-16(9-11)22(12-5-4-6-12)18(20-15)21-17(23)13-10-14(13)19(2,3)24;1-12-8-9-16-17(10-12)22(14-6-5-7-14)18(21-16)20-13(2)15-11-19(15,3)4;1-11-6-7-14-15(8-11)22(13-4-3-5-13)17(20-14)21-16(23)12-9-18(2,19)10-12;1-12-8-9-14-15(10-12)21(13-6-5-7-13)17(19-14)20-16(22)11-18(2,3)4;1-11(2)13(4)17(22)20-18-19-15-9-8-12(3)10-16(15)21(18)14-6-5-7-14;1-10-7-8-12-13(9-10)23(11-5-4-6-11)15(21-12)22-14(24)16(2,3)17(18,19)20;1-11(2)9-16(21)19-17-18-14-8-7-12(3)10-15(14)20(17)13-5-4-6-13/h7-9,12-14,24H,4-6,10H2,1-3H3,(H,20,21,23);8-10,14-15H,2,5-7,11H2,1,3-4H3,(H,20,21);6-8,12-13H,3-5,9-10H2,1-2H3,(H,20,21,23);8-10,13H,5-7,11H2,1-4H3,(H,19,20,22);8-11,13-14H,5-7H2,1-4H3,(H,19,20,22);7-9,11H,4-6H2,1-3H3,(H,21,22,24);7-8,10-11,13H,4-6,9H2,1-3H3,(H,18,19,21)/t13-,14-;15-;;;13-;;/m01..0../s1
InChIKeySOFWYACDAWVWPP-GBHFEGMMSA-N
XLogP30.00
TPSA331.60 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002161.84
LogP ≤ 530.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-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 with MolForge

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Related Compounds

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-(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
bis(N-(1-tert-butyl-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide;bis(N-[5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide)
CID 157787510
bis(N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);bis(N-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);bis(N-[1-cyclobutyl-6-isocyano-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide)
CID 157870854
N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-(2-fluorophenyl)-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(dimethylamino)-7-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 158085906
(2S)-N-[6-cyano-1-(4-fluorophenyl)benzimidazol-2-yl]-2,3-dimethylbutanamide;N-[6-cyano-1-(4-fluorophenyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-1-(4-fluorophenyl)benzimidazol-2-yl]-2,2-dimethylcyclopropane-1-carboxamide;N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-2,3-dimethylbutanamide;N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
CID 158095717
(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-(trifluoromethyl)benzimidazol-2-yl]-3,3-difluorocyclobutane-1-carboxamide;(2R)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-2,3-dimethylbutanamide;(1S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-2,2-dimethylcyclopropane-1-carboxamide;(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butanamide;trans-(1S,2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide
CID 158691847
N-(1-tert-butyl-6-cyano-4,7-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[6-cyano-4,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[6-cyano-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide);bis(N-[4-fluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide)
CID 158708417
(2S)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2,3-dimethylbutanamide;(2S,3R)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-2-methyl-3-phenylbutanamide;(2R)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3,3,3-trifluoro-2,2-dimethylpropanamide;methane;trans-(1S,2S)-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxamide
CID 159117813
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
N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-2-(1-methylcyclopropyl)acetamide;bis(N-(1-tert-butyl-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide
CID 159261419

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-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?
The IUPAC name of 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-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 160890775) is 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-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.
What is the SMILES notation for 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-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?
The canonical SMILES for 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-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 is C=C(Nc1nc2ccc(C)cc2n1C1CCC1)[C@H]1CC1(C)C.Cc1ccc2nc(NC(=O)C(C)(C)C(F)(F)F)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)C3CC(C)(F)C3)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)CC(C)C)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)[C@H]3C[C@@H]3C(C)(C)O)n(C3CCC3)c2c1.
What is the InChIKey of 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-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?
The InChIKey is SOFWYACDAWVWPP-GBHFEGMMSA-N. The full InChI is InChI=1S/C19H25N3O2.C19H25N3.C18H22FN3O.2C18H25N3O.C17H20F3N3O.C17H23N3O/c1-11-7-8-15-16(9-11)22(12-5-4-6-12)18(20-15)21-17(23)13-10-14(13)19(2,3)24;1-12-8-9-16-17(10-12)22(14-6-5-7-14)18(21-16)20-13(2)15-11-19(15,3)4;1-11-6-7-14-15(8-11)22(13-4-3-5-13)17(20-14)21-16(23)12-9-18(2,19)10-12;1-12-8-9-14-15(10-12)21(13-6-5-7-13)17(19-14)20-16(22)11-18(2,3)4;1-11(2)13(4)17(22)20-18-19-15-9-8-12(3)10-16(15)21(18)14-6-5-7-14;1-10-7-8-12-13(9-10)23(11-5-4-6-11)15(21-12)22-14(24)16(2,3)17(18,19)20;1-11(2)9-16(21)19-17-18-14-8-7-12(3)10-15(14)20(17)13-5-4-6-13/h7-9,12-14,24H,4-6,10H2,1-3H3,(H,20,21,23);8-10,14-15H,2,5-7,11H2,1,3-4H3,(H,20,21);6-8,12-13H,3-5,9-10H2,1-2H3,(H,20,21,23);8-10,13H,5-7,11H2,1-4H3,(H,19,20,22);8-11,13-14H,5-7H2,1-4H3,(H,19,20,22);7-9,11H,4-6H2,1-3H3,(H,21,22,24);7-8,10-11,13H,4-6,9H2,1-3H3,(H,18,19,21)/t13-,14-;15-;;;13-;;/m01..0../s1.
What are the key properties of 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-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?
1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-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 has a molecular weight of 2161.84 g/mol, XLogP of 30.00, 25 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[1-[(1S)-2,2-dimethylcyclopropyl]ethenyl]-6-methylbenzimidazol-2-amine;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;(2S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-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 is sourced from PubChem (CID 160890775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).