(1S)-N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide;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-hydroxy-3-phenylbutanamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide

C109H119F9N18O10 — CID 159305703

IUPAC(1S)-N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide;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-hydroxy-3-phenylbutanamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)CC3CC(C)(F)C3(F)F)n(C3(C)CCC3)c2c1.CC(O)(CC(=O)Nc1nc2cc(F)c(C#N)cc2n1C1(C)CCC1)c1ccccc1F.CC(O)(CC(=O)Nc1nc2ccc(OC(F)F)c(F)c2n1C1(C)CCC1)c1ccccc1.CC(O)(CC(=O)Nc1nc2cccc(C#N)c2n1C1(C)CCC1)c1ccccc1.[C-]#[N+]c1cc(F)c2nc(NC(=O)[C@H]3CC3(C)C)n(C(C)(C)C)c2c1
InChIInChI=1S/C23H24F3N3O3.C23H22F2N4O2.C23H24N4O2.C22H28F3N3O2.C18H21FN4O/c1-22(11-6-12-22)29-19-15(9-10-16(18(19)24)32-20(25)26)27-21(29)28-17(30)13-23(2,31)14-7-4-3-5-8-14;1-22(8-5-9-22)29-19-10-14(13-26)17(25)11-18(19)27-21(29)28-20(30)12-23(2,31)15-6-3-4-7-16(15)24;1-22(12-7-13-22)27-20-16(15-24)8-6-11-18(20)25-21(27)26-19(28)14-23(2,29)17-9-4-3-5-10-17;1-19(2,30)13-6-7-15-16(10-13)28(20(3)8-5-9-20)18(26-15)27-17(29)11-14-12-21(4,23)22(14,24)25;1-17(2,3)23-13-8-10(20-6)7-12(19)14(13)21-16(23)22-15(24)11-9-18(11,4)5/h3-5,7-10,20,31H,6,11-13H2,1-2H3,(H,27,28,30);3-4,6-7,10-11,31H,5,8-9,12H2,1-2H3,(H,27,28,30);3-6,8-11,29H,7,12-14H2,1-2H3,(H,25,26,28);6-7,10,14,30H,5,8-9,11-12H2,1-4H3,(H,26,27,29);7-8,11H,9H2,1-5H3,(H,21,22,24)/t;;;;11-/m....1/s1
InChIKeyLBWUTGFPBDRHJZ-PXAOQQMGSA-N
MW2012.25 g/mol
LogP22.62
Rot. Bonds24

About (1S)-N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide;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-hydroxy-3-phenylbutanamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide

(1S)-N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide;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-hydroxy-3-phenylbutanamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide (PubChem CID 159305703) has the molecular formula C109H119F9N18O10 and a molecular weight of 2012.25 g/mol. Its IUPAC name is (1S)-N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide;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-hydroxy-3-phenylbutanamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide.

Molecular Properties

Compound Name(1S)-N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide;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-hydroxy-3-phenylbutanamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide
PubChem CID159305703
Molecular FormulaC109H119F9N18O10
Molecular Weight2012.25 g/mol
Exact Mass2010.92
IUPAC Name(1S)-N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide;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-hydroxy-3-phenylbutanamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)CC3CC(C)(F)C3(F)F)n(C3(C)CCC3)c2c1.CC(O)(CC(=O)Nc1nc2cc(F)c(C#N)cc2n1C1(C)CCC1)c1ccccc1F.CC(O)(CC(=O)Nc1nc2ccc(OC(F)F)c(F)c2n1C1(C)CCC1)c1ccccc1.CC(O)(CC(=O)Nc1nc2cccc(C#N)c2n1C1(C)CCC1)c1ccccc1.[C-]#[N+]c1cc(F)c2nc(NC(=O)[C@H]3CC3(C)C)n(C(C)(C)C)c2c1
InChIInChI=1S/C23H24F3N3O3.C23H22F2N4O2.C23H24N4O2.C22H28F3N3O2.C18H21FN4O/c1-22(11-6-12-22)29-19-15(9-10-16(18(19)24)32-20(25)26)27-21(29)28-17(30)13-23(2,31)14-7-4-3-5-8-14;1-22(8-5-9-22)29-19-10-14(13-26)17(25)11-18(19)27-21(29)28-20(30)12-23(2,31)15-6-3-4-7-16(15)24;1-22(12-7-13-22)27-20-16(15-24)8-6-11-18(20)25-21(27)26-19(28)14-23(2,29)17-9-4-3-5-10-17;1-19(2,30)13-6-7-15-16(10-13)28(20(3)8-5-9-20)18(26-15)27-17(29)11-14-12-21(4,23)22(14,24)25;1-17(2,3)23-13-8-10(20-6)7-12(19)14(13)21-16(23)22-15(24)11-9-18(11,4)5/h3-5,7-10,20,31H,6,11-13H2,1-2H3,(H,27,28,30);3-4,6-7,10-11,31H,5,8-9,12H2,1-2H3,(H,27,28,30);3-6,8-11,29H,7,12-14H2,1-2H3,(H,25,26,28);6-7,10,14,30H,5,8-9,11-12H2,1-4H3,(H,26,27,29);7-8,11H,9H2,1-5H3,(H,21,22,24)/t;;;;11-/m....1/s1
InChIKeyLBWUTGFPBDRHJZ-PXAOQQMGSA-N
XLogP22.62
TPSA376.69 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002012.25
LogP ≤ 522.62
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze (1S)-N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide;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-hydroxy-3-phenylbutanamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide 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
(3S)-3-(2-chlorophenyl)-3-hydroxy-N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]butanamide;N-[1-(3,5-difluorophenyl)-6-methylbenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-(3,5-difluorophenyl)-6-methylbenzimidazol-2-yl]-2-(1-methylcyclobutyl)acetamide;3,3-dimethyl-N-[6-methyl-1-[4-(trifluoromethoxy)phenyl]benzimidazol-2-yl]butanamide;bis((3S)-3-hydroxy-N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(4-methylphenyl)butanamide)
CID 157363154
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
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

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide;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-hydroxy-3-phenylbutanamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide?
The IUPAC name of (1S)-N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide;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-hydroxy-3-phenylbutanamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide (CID 159305703) is (1S)-N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide;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-hydroxy-3-phenylbutanamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide.
What is the SMILES notation for (1S)-N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide;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-hydroxy-3-phenylbutanamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide?
The canonical SMILES for (1S)-N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide;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-hydroxy-3-phenylbutanamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide is CC(C)(O)c1ccc2nc(NC(=O)CC3CC(C)(F)C3(F)F)n(C3(C)CCC3)c2c1.CC(O)(CC(=O)Nc1nc2cc(F)c(C#N)cc2n1C1(C)CCC1)c1ccccc1F.CC(O)(CC(=O)Nc1nc2ccc(OC(F)F)c(F)c2n1C1(C)CCC1)c1ccccc1.CC(O)(CC(=O)Nc1nc2cccc(C#N)c2n1C1(C)CCC1)c1ccccc1.[C-]#[N+]c1cc(F)c2nc(NC(=O)[C@H]3CC3(C)C)n(C(C)(C)C)c2c1.
What is the InChIKey of (1S)-N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide;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-hydroxy-3-phenylbutanamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide?
The InChIKey is LBWUTGFPBDRHJZ-PXAOQQMGSA-N. The full InChI is InChI=1S/C23H24F3N3O3.C23H22F2N4O2.C23H24N4O2.C22H28F3N3O2.C18H21FN4O/c1-22(11-6-12-22)29-19-15(9-10-16(18(19)24)32-20(25)26)27-21(29)28-17(30)13-23(2,31)14-7-4-3-5-8-14;1-22(8-5-9-22)29-19-10-14(13-26)17(25)11-18(19)27-21(29)28-20(30)12-23(2,31)15-6-3-4-7-16(15)24;1-22(12-7-13-22)27-20-16(15-24)8-6-11-18(20)25-21(27)26-19(28)14-23(2,29)17-9-4-3-5-10-17;1-19(2,30)13-6-7-15-16(10-13)28(20(3)8-5-9-20)18(26-15)27-17(29)11-14-12-21(4,23)22(14,24)25;1-17(2,3)23-13-8-10(20-6)7-12(19)14(13)21-16(23)22-15(24)11-9-18(11,4)5/h3-5,7-10,20,31H,6,11-13H2,1-2H3,(H,27,28,30);3-4,6-7,10-11,31H,5,8-9,12H2,1-2H3,(H,27,28,30);3-6,8-11,29H,7,12-14H2,1-2H3,(H,25,26,28);6-7,10,14,30H,5,8-9,11-12H2,1-4H3,(H,26,27,29);7-8,11H,9H2,1-5H3,(H,21,22,24)/t;;;;11-/m....1/s1.
What are the key properties of (1S)-N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide;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-hydroxy-3-phenylbutanamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide?
(1S)-N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide;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-hydroxy-3-phenylbutanamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide has a molecular weight of 2012.25 g/mol, XLogP of 22.62, 24 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide;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-hydroxy-3-phenylbutanamide;N-[6-(difluoromethoxy)-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,2,3-trifluoro-3-methylcyclobutyl)acetamide is sourced from PubChem (CID 159305703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).