bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide)

C110H132Br2F12N18O12 — CID 159201295

About bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide)

bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide) (PubChem CID 159201295) has the molecular formula C110H132Br2F12N18O12 and a molecular weight of 2286.16 g/mol. Its IUPAC name is bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide).

Molecular Properties

• Compound Name: bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide)
• PubChem CID: 159201295
• Molecular Formula: C110H132Br2F12N18O12
• Molecular Weight: 2286.16 g/mol
• Exact Mass: 2282.84
• IUPAC Name: bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide)
• SMILES: CC(C)(O)CC(=O)Nc1nc2c(C(F)(F)F)cc(Br)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(C(F)(F)F)cc(Br)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(F)cc(C3CC3)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(F)cc(C3CC3)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(F)cc(C3CC3)cc2n1C1CCC1.O=C(CC(O)(CF)CF)Nc1nc2c(F)cc(C3CC3)cc2n1C1CCC1
• InChI: InChI=1S/C19H22F3N3O2.3C19H24FN3O2.2C17H19BrF3N3O2/c20-9-19(27,10-21)8-16(26)23-18-24-17-14(22)6-12(11-4-5-11)7-15(17)25(18)13-2-1-3-13;3*1-19(2,25)10-16(24)21-18-22-17-14(20)8-12(11-6-7-11)9-15(17)23(18)13-4-3-5-13;2*1-16(2,26)8-13(25)22-15-23-14-11(17(19,20)21)6-9(18)7-12(14)24(15)10-4-3-5-10/h6-7,11,13,27H,1-5,8-10H2,(H,23,24,26);3*8-9,11,13,25H,3-7,10H2,1-2H3,(H,21,22,24);2*6-7,10,26H,3-5,8H2,1-2H3,(H,22,23,25)
• InChIKey: KPIDRVKWXLWBMH-UHFFFAOYSA-N
• XLogP: 24.69
• TPSA: 402.90 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2286.16
LogP ≤ 5	24.69
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide)?

The IUPAC name of bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide) (CID 159201295) is bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide).

What is the SMILES notation for bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide)?

The canonical SMILES for bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide) is CC(C)(O)CC(=O)Nc1nc2c(C(F)(F)F)cc(Br)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(C(F)(F)F)cc(Br)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(F)cc(C3CC3)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(F)cc(C3CC3)cc2n1C1CCC1.CC(C)(O)CC(=O)Nc1nc2c(F)cc(C3CC3)cc2n1C1CCC1.O=C(CC(O)(CF)CF)Nc1nc2c(F)cc(C3CC3)cc2n1C1CCC1.

What is the InChIKey of bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide)?

The InChIKey is KPIDRVKWXLWBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2.3C19H24FN3O2.2C17H19BrF3N3O2/c20-9-19(27,10-21)8-16(26)23-18-24-17-14(22)6-12(11-4-5-11)7-15(17)25(18)13-2-1-3-13;3*1-19(2,25)10-16(24)21-18-22-17-14(20)8-12(11-6-7-11)9-15(17)23(18)13-4-3-5-13;2*1-16(2,26)8-13(25)22-15-23-14-11(17(19,20)21)6-9(18)7-12(14)24(15)10-4-3-5-10/h6-7,11,13,27H,1-5,8-10H2,(H,23,24,26);3*8-9,11,13,25H,3-7,10H2,1-2H3,(H,21,22,24);2*6-7,10,26H,3-5,8H2,1-2H3,(H,22,23,25).

What are the key properties of bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide)?

bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide) has a molecular weight of 2286.16 g/mol, XLogP of 24.69, 30 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide;tris(N-(1-cyclobutyl-6-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide) is sourced from PubChem (CID 159201295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).