bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

C93H112Cl2F12N16O6 — CID 158786337

About bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 158786337) has the molecular formula C93H112Cl2F12N16O6 and a molecular weight of 1848.91 g/mol. Its IUPAC name is bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
• PubChem CID: 158786337
• Molecular Formula: C93H112Cl2F12N16O6
• Molecular Weight: 1848.91 g/mol
• Exact Mass: 1846.81
• IUPAC Name: bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
• SMILES: CC(C(=O)Nc1nc2ccc(Cl)c(F)c2n1C1(C)CCC1)C1(C)CC1.CC(C)(C)CC(=O)Nc1nc2ccc(Cl)c(F)c2n1C1(C)CCC1.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2cc(F)c(F)cc21.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2cc(F)c(F)cc21.[C-]#[N+]c1cc(OC)c2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1
• InChI: InChI=1S/C20H26N4O2.C19H23ClFN3O.C18H23ClFN3O.2C18H20F5N3O/c1-19(2,3)12-16(25)22-18-23-17-14(24(18)20(4)8-7-9-20)10-13(21-5)11-15(17)26-6;1-11(18(2)9-10-18)16(25)23-17-22-13-6-5-12(20)14(21)15(13)24(17)19(3)7-4-8-19;1-17(2,3)10-13(24)22-16-21-12-7-6-11(19)14(20)15(12)23(16)18(4)8-5-9-18;2*1-16(2,3)26-13-7-11(20)10(19)6-12(13)24-15(26)25-14(27)5-9-8-18(22,23)17(9,4)21/h10-11H,7-9,12H2,1-4,6H3,(H,22,23,25);5-6,11H,4,7-10H2,1-3H3,(H,22,23,25);6-7H,5,8-10H2,1-4H3,(H,21,22,24);2*6-7,9H,5,8H2,1-4H3,(H,24,25,27)
• InChIKey: IRSQQWZIEIYBQI-UHFFFAOYSA-N
• XLogP: 24.64
• TPSA: 248.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1848.91
LogP ≤ 5	24.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The IUPAC name of bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 158786337) is bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

What is the SMILES notation for bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The canonical SMILES for bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C(=O)Nc1nc2ccc(Cl)c(F)c2n1C1(C)CCC1)C1(C)CC1.CC(C)(C)CC(=O)Nc1nc2ccc(Cl)c(F)c2n1C1(C)CCC1.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2cc(F)c(F)cc21.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2cc(F)c(F)cc21.[C-]#[N+]c1cc(OC)c2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1.

What is the InChIKey of bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The InChIKey is IRSQQWZIEIYBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2.C19H23ClFN3O.C18H23ClFN3O.2C18H20F5N3O/c1-19(2,3)12-16(25)22-18-23-17-14(24(18)20(4)8-7-9-20)10-13(21-5)11-15(17)26-6;1-11(18(2)9-10-18)16(25)23-17-22-13-6-5-12(20)14(21)15(13)24(17)19(3)7-4-8-19;1-17(2,3)10-13(24)22-16-21-12-7-6-11(19)14(20)15(12)23(16)18(4)8-5-9-18;2*1-16(2,3)26-13-7-11(20)10(19)6-12(13)24-15(26)25-14(27)5-9-8-18(22,23)17(9,4)21/h10-11H,7-9,12H2,1-4,6H3,(H,22,23,25);5-6,11H,4,7-10H2,1-3H3,(H,22,23,25);6-7H,5,8-10H2,1-4H3,(H,21,22,24);2*6-7,9H,5,8H2,1-4H3,(H,24,25,27).

What are the key properties of bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 1848.91 g/mol, XLogP of 24.64, 17 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-chloro-7-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[6-isocyano-4-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 158786337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).