N-(6-bromo-1-cyclobutyl-4-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-[1-cyclobutyl-6-(3,3-difluoroazetidin-1-yl)-7-fluorobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-6-ethoxy-7-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;(3S)-N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;3-hydroxy-N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-phenylpentanamide

C118H143Br2F5N20O16 — CID 158057264

IUPACN-(6-bromo-1-cyclobutyl-4-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-[1-cyclobutyl-6-(3,3-difluoroazetidin-1-yl)-7-fluorobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-6-ethoxy-7-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;(3S)-N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;3-hydroxy-N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-phenylpentanamide
SMILESCC(C)(O)CC(=O)Nc1nc2ccc(N3CC(F)(F)C3)c(F)c2n1C1CCC1.CCOc1ccc2nc(NC(=O)CC(C)(C)O)n(C3CCC3)c2c1F.COc1cc(Br)cc2c1nc(NC(=O)CC(C)(C)O)n2C1(C)CCC1.COc1cc(Br)cc2c1nc(NC(=O)CC(C)(C)O)n2C1CCC1.COc1ccc2nc(NC(=O)C[C@](C)(O)c3ccccc3)n(C3CCC3)c2c1F.[C-]#[N+]c1ccc2nc(NC(=O)CC(O)(CC)c3ccccc3)n(C3(C)CCC3)c2c1
InChIInChI=1S/C24H26N4O2.C22H24FN3O3.C19H23F3N4O2.C18H24BrN3O3.C18H24FN3O3.C17H22BrN3O3/c1-4-24(30,17-9-6-5-7-10-17)16-21(29)27-22-26-19-12-11-18(25-3)15-20(19)28(22)23(2)13-8-14-23;1-22(28,14-7-4-3-5-8-14)13-18(27)25-21-24-16-11-12-17(29-2)19(23)20(16)26(21)15-9-6-10-15;1-18(2,28)8-14(27)24-17-23-12-6-7-13(25-9-19(21,22)10-25)15(20)16(12)26(17)11-4-3-5-11;1-17(2,24)10-14(23)20-16-21-15-12(8-11(19)9-13(15)25-4)22(16)18(3)6-5-7-18;1-4-25-13-9-8-12-16(15(13)19)22(11-6-5-7-11)17(20-12)21-14(23)10-18(2,3)24;1-17(2,23)9-14(22)19-16-20-15-12(21(16)11-5-4-6-11)7-10(18)8-13(15)24-3/h5-7,9-12,15,30H,4,8,13-14,16H2,1-2H3,(H,26,27,29);3-5,7-8,11-12,15,28H,6,9-10,13H2,1-2H3,(H,24,25,27);6-7,11,28H,3-5,8-10H2,1-2H3,(H,23,24,27);8-9,24H,5-7,10H2,1-4H3,(H,20,21,23);8-9,11,24H,4-7,10H2,1-3H3,(H,20,21,23);7-8,11,23H,4-6,9H2,1-3H3,(H,19,20,22)/t;22-;;;;/m.0..../s1
InChIKeyFKFBSCKVHLXEJI-MVEICPCOSA-N
MW2352.36 g/mol
LogP23.55
Rot. Bonds33

About N-(6-bromo-1-cyclobutyl-4-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-[1-cyclobutyl-6-(3,3-difluoroazetidin-1-yl)-7-fluorobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-6-ethoxy-7-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;(3S)-N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;3-hydroxy-N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-phenylpentanamide

N-(6-bromo-1-cyclobutyl-4-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-[1-cyclobutyl-6-(3,3-difluoroazetidin-1-yl)-7-fluorobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-6-ethoxy-7-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;(3S)-N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;3-hydroxy-N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-phenylpentanamide (PubChem CID 158057264) has the molecular formula C118H143Br2F5N20O16 and a molecular weight of 2352.36 g/mol. Its IUPAC name is N-(6-bromo-1-cyclobutyl-4-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-[1-cyclobutyl-6-(3,3-difluoroazetidin-1-yl)-7-fluorobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-6-ethoxy-7-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;(3S)-N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;3-hydroxy-N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-phenylpentanamide.

Molecular Properties

Compound NameN-(6-bromo-1-cyclobutyl-4-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-[1-cyclobutyl-6-(3,3-difluoroazetidin-1-yl)-7-fluorobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-6-ethoxy-7-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;(3S)-N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;3-hydroxy-N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-phenylpentanamide
PubChem CID158057264
Molecular FormulaC118H143Br2F5N20O16
Molecular Weight2352.36 g/mol
Exact Mass2348.93
IUPAC NameN-(6-bromo-1-cyclobutyl-4-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-[1-cyclobutyl-6-(3,3-difluoroazetidin-1-yl)-7-fluorobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-6-ethoxy-7-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;(3S)-N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;3-hydroxy-N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-phenylpentanamide
SMILESCC(C)(O)CC(=O)Nc1nc2ccc(N3CC(F)(F)C3)c(F)c2n1C1CCC1.CCOc1ccc2nc(NC(=O)CC(C)(C)O)n(C3CCC3)c2c1F.COc1cc(Br)cc2c1nc(NC(=O)CC(C)(C)O)n2C1(C)CCC1.COc1cc(Br)cc2c1nc(NC(=O)CC(C)(C)O)n2C1CCC1.COc1ccc2nc(NC(=O)C[C@](C)(O)c3ccccc3)n(C3CCC3)c2c1F.[C-]#[N+]c1ccc2nc(NC(=O)CC(O)(CC)c3ccccc3)n(C3(C)CCC3)c2c1
InChIInChI=1S/C24H26N4O2.C22H24FN3O3.C19H23F3N4O2.C18H24BrN3O3.C18H24FN3O3.C17H22BrN3O3/c1-4-24(30,17-9-6-5-7-10-17)16-21(29)27-22-26-19-12-11-18(25-3)15-20(19)28(22)23(2)13-8-14-23;1-22(28,14-7-4-3-5-8-14)13-18(27)25-21-24-16-11-12-17(29-2)19(23)20(16)26(21)15-9-6-10-15;1-18(2,28)8-14(27)24-17-23-12-6-7-13(25-9-19(21,22)10-25)15(20)16(12)26(17)11-4-3-5-11;1-17(2,24)10-14(23)20-16-21-15-12(8-11(19)9-13(15)25-4)22(16)18(3)6-5-7-18;1-4-25-13-9-8-12-16(15(13)19)22(11-6-5-7-11)17(20-12)21-14(23)10-18(2,3)24;1-17(2,23)9-14(22)19-16-20-15-12(21(16)11-5-4-6-11)7-10(18)8-13(15)24-3/h5-7,9-12,15,30H,4,8,13-14,16H2,1-2H3,(H,26,27,29);3-5,7-8,11-12,15,28H,6,9-10,13H2,1-2H3,(H,24,25,27);6-7,11,28H,3-5,8-10H2,1-2H3,(H,23,24,27);8-9,24H,5-7,10H2,1-4H3,(H,20,21,23);8-9,11,24H,4-7,10H2,1-3H3,(H,20,21,23);7-8,11,23H,4-6,9H2,1-3H3,(H,19,20,22)/t;22-;;;;/m.0..../s1
InChIKeyFKFBSCKVHLXEJI-MVEICPCOSA-N
XLogP23.55
TPSA447.42 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds33
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002352.36
LogP ≤ 523.55
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze N-(6-bromo-1-cyclobutyl-4-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-[1-cyclobutyl-6-(3,3-difluoroazetidin-1-yl)-7-fluorobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-6-ethoxy-7-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;(3S)-N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;3-hydroxy-N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-phenylpentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1-cyclobutyl-4-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-[1-cyclobutyl-6-(3,3-difluoroazetidin-1-yl)-7-fluorobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-6-ethoxy-7-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;(3S)-N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;3-hydroxy-N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-phenylpentanamide?
The IUPAC name of N-(6-bromo-1-cyclobutyl-4-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-[1-cyclobutyl-6-(3,3-difluoroazetidin-1-yl)-7-fluorobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-6-ethoxy-7-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;(3S)-N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;3-hydroxy-N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-phenylpentanamide (CID 158057264) is N-(6-bromo-1-cyclobutyl-4-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-[1-cyclobutyl-6-(3,3-difluoroazetidin-1-yl)-7-fluorobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-6-ethoxy-7-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;(3S)-N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;3-hydroxy-N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-phenylpentanamide.
What is the SMILES notation for N-(6-bromo-1-cyclobutyl-4-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-[1-cyclobutyl-6-(3,3-difluoroazetidin-1-yl)-7-fluorobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-6-ethoxy-7-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;(3S)-N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;3-hydroxy-N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-phenylpentanamide?
The canonical SMILES for N-(6-bromo-1-cyclobutyl-4-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-[1-cyclobutyl-6-(3,3-difluoroazetidin-1-yl)-7-fluorobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-6-ethoxy-7-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;(3S)-N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;3-hydroxy-N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-phenylpentanamide is CC(C)(O)CC(=O)Nc1nc2ccc(N3CC(F)(F)C3)c(F)c2n1C1CCC1.CCOc1ccc2nc(NC(=O)CC(C)(C)O)n(C3CCC3)c2c1F.COc1cc(Br)cc2c1nc(NC(=O)CC(C)(C)O)n2C1(C)CCC1.COc1cc(Br)cc2c1nc(NC(=O)CC(C)(C)O)n2C1CCC1.COc1ccc2nc(NC(=O)C[C@](C)(O)c3ccccc3)n(C3CCC3)c2c1F.[C-]#[N+]c1ccc2nc(NC(=O)CC(O)(CC)c3ccccc3)n(C3(C)CCC3)c2c1.
What is the InChIKey of N-(6-bromo-1-cyclobutyl-4-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-[1-cyclobutyl-6-(3,3-difluoroazetidin-1-yl)-7-fluorobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-6-ethoxy-7-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;(3S)-N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;3-hydroxy-N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-phenylpentanamide?
The InChIKey is FKFBSCKVHLXEJI-MVEICPCOSA-N. The full InChI is InChI=1S/C24H26N4O2.C22H24FN3O3.C19H23F3N4O2.C18H24BrN3O3.C18H24FN3O3.C17H22BrN3O3/c1-4-24(30,17-9-6-5-7-10-17)16-21(29)27-22-26-19-12-11-18(25-3)15-20(19)28(22)23(2)13-8-14-23;1-22(28,14-7-4-3-5-8-14)13-18(27)25-21-24-16-11-12-17(29-2)19(23)20(16)26(21)15-9-6-10-15;1-18(2,28)8-14(27)24-17-23-12-6-7-13(25-9-19(21,22)10-25)15(20)16(12)26(17)11-4-3-5-11;1-17(2,24)10-14(23)20-16-21-15-12(8-11(19)9-13(15)25-4)22(16)18(3)6-5-7-18;1-4-25-13-9-8-12-16(15(13)19)22(11-6-5-7-11)17(20-12)21-14(23)10-18(2,3)24;1-17(2,23)9-14(22)19-16-20-15-12(21(16)11-5-4-6-11)7-10(18)8-13(15)24-3/h5-7,9-12,15,30H,4,8,13-14,16H2,1-2H3,(H,26,27,29);3-5,7-8,11-12,15,28H,6,9-10,13H2,1-2H3,(H,24,25,27);6-7,11,28H,3-5,8-10H2,1-2H3,(H,23,24,27);8-9,24H,5-7,10H2,1-4H3,(H,20,21,23);8-9,11,24H,4-7,10H2,1-3H3,(H,20,21,23);7-8,11,23H,4-6,9H2,1-3H3,(H,19,20,22)/t;22-;;;;/m.0..../s1.
What are the key properties of N-(6-bromo-1-cyclobutyl-4-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-[1-cyclobutyl-6-(3,3-difluoroazetidin-1-yl)-7-fluorobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-6-ethoxy-7-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;(3S)-N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;3-hydroxy-N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-phenylpentanamide?
N-(6-bromo-1-cyclobutyl-4-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-[1-cyclobutyl-6-(3,3-difluoroazetidin-1-yl)-7-fluorobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-6-ethoxy-7-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;(3S)-N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;3-hydroxy-N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-phenylpentanamide has a molecular weight of 2352.36 g/mol, XLogP of 23.55, 33 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1-cyclobutyl-4-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-[6-bromo-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-[1-cyclobutyl-6-(3,3-difluoroazetidin-1-yl)-7-fluorobenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-6-ethoxy-7-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;(3S)-N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;3-hydroxy-N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-phenylpentanamide is sourced from PubChem (CID 158057264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).