N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3S)-N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluoro-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide

C116H137BrCl2F7N19O10 — CID 160552247

About N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3S)-N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluoro-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide

N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3S)-N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluoro-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide (PubChem CID 160552247) has the molecular formula C116H137BrCl2F7N19O10 and a molecular weight of 2241.29 g/mol. Its IUPAC name is N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3S)-N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluoro-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide.

Molecular Properties

• Compound Name: N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3S)-N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluoro-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
• PubChem CID: 160552247
• Molecular Formula: C116H137BrCl2F7N19O10
• Molecular Weight: 2241.29 g/mol
• Exact Mass: 2237.92
• IUPAC Name: N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3S)-N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluoro-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
• SMILES: CC(C)(C)CC(=O)Nc1nc2c(C(F)(F)F)cc(Br)cc2n1C1CCC1.CC(C)(C)n1c(NC(=O)C[C@](C)(O)c2ccccc2)nc2cc(F)c(Cl)cc21.CC1(n2c(NC(=O)C[C@](C)(O)c3ccccc3)nc3cc(F)c(Cl)cc32)CCC1.Cc1cc2c(cc1C1CC1)nc(NC(=O)CC(C)(C)O)n2C1CCC1.Cc1ccc2nc(NC(=O)CC(C)(C)O)n(C3CCC3)c2c1F.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1
• InChI: InChI=1S/C22H23ClFN3O2.C21H23ClFN3O2.C20H27N3O2.C18H21BrF3N3O.C18H21FN4O.C17H22FN3O2/c1-21(9-6-10-21)27-18-11-15(23)16(24)12-17(18)25-20(27)26-19(28)13-22(2,29)14-7-4-3-5-8-14;1-20(2,3)26-17-10-14(22)15(23)11-16(17)24-19(26)25-18(27)12-21(4,28)13-8-6-5-7-9-13;1-12-9-17-16(10-15(12)13-7-8-13)21-19(23(17)14-5-4-6-14)22-18(24)11-20(2,3)25;1-17(2,3)9-14(26)23-16-24-15-12(18(20,21)22)7-10(19)8-13(15)25(16)11-5-4-6-11;1-18(2,3)10-15(24)21-17-22-16-13(19)8-11(20-4)9-14(16)23(17)12-6-5-7-12;1-10-7-8-12-15(14(10)18)21(11-5-4-6-11)16(19-12)20-13(22)9-17(2,3)23/h3-5,7-8,11-12,29H,6,9-10,13H2,1-2H3,(H,25,26,28);5-11,28H,12H2,1-4H3,(H,24,25,27);9-10,13-14,25H,4-8,11H2,1-3H3,(H,21,22,24);7-8,11H,4-6,9H2,1-3H3,(H,23,24,26);8-9,12H,5-7,10H2,1-3H3,(H,21,22,24);7-8,11,23H,4-6,9H2,1-3H3,(H,19,20,22)/t22-;21-;;;;/m00..../s1
• InChIKey: QYFOLBOBWMRJSY-NPJSGKDUSA-N
• XLogP: 27.88
• TPSA: 366.80 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2241.29
LogP ≤ 5	27.88
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3S)-N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluoro-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide?

The IUPAC name of N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3S)-N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluoro-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide (CID 160552247) is N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3S)-N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluoro-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide.

What is the SMILES notation for N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3S)-N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluoro-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide?

The canonical SMILES for N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3S)-N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluoro-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide is CC(C)(C)CC(=O)Nc1nc2c(C(F)(F)F)cc(Br)cc2n1C1CCC1.CC(C)(C)n1c(NC(=O)C[C@](C)(O)c2ccccc2)nc2cc(F)c(Cl)cc21.CC1(n2c(NC(=O)C[C@](C)(O)c3ccccc3)nc3cc(F)c(Cl)cc32)CCC1.Cc1cc2c(cc1C1CC1)nc(NC(=O)CC(C)(C)O)n2C1CCC1.Cc1ccc2nc(NC(=O)CC(C)(C)O)n(C3CCC3)c2c1F.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1.

What is the InChIKey of N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3S)-N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluoro-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide?

The InChIKey is QYFOLBOBWMRJSY-NPJSGKDUSA-N. The full InChI is InChI=1S/C22H23ClFN3O2.C21H23ClFN3O2.C20H27N3O2.C18H21BrF3N3O.C18H21FN4O.C17H22FN3O2/c1-21(9-6-10-21)27-18-11-15(23)16(24)12-17(18)25-20(27)26-19(28)13-22(2,29)14-7-4-3-5-8-14;1-20(2,3)26-17-10-14(22)15(23)11-16(17)24-19(26)25-18(27)12-21(4,28)13-8-6-5-7-9-13;1-12-9-17-16(10-15(12)13-7-8-13)21-19(23(17)14-5-4-6-14)22-18(24)11-20(2,3)25;1-17(2,3)9-14(26)23-16-24-15-12(18(20,21)22)7-10(19)8-13(15)25(16)11-5-4-6-11;1-18(2,3)10-15(24)21-17-22-16-13(19)8-11(20-4)9-14(16)23(17)12-6-5-7-12;1-10-7-8-12-15(14(10)18)21(11-5-4-6-11)16(19-12)20-13(22)9-17(2,3)23/h3-5,7-8,11-12,29H,6,9-10,13H2,1-2H3,(H,25,26,28);5-11,28H,12H2,1-4H3,(H,24,25,27);9-10,13-14,25H,4-8,11H2,1-3H3,(H,21,22,24);7-8,11H,4-6,9H2,1-3H3,(H,23,24,26);8-9,12H,5-7,10H2,1-3H3,(H,21,22,24);7-8,11,23H,4-6,9H2,1-3H3,(H,19,20,22)/t22-;21-;;;;/m00..../s1.

What are the key properties of N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3S)-N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluoro-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide?

N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3S)-N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluoro-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide has a molecular weight of 2241.29 g/mol, XLogP of 27.88, 24 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;(3S)-N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-fluoro-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 160552247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).