N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3,3-dimethylpentanamide;2-(1-methylcyclopropyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide

C95H104ClF18N17O5 — CID 160731204

About N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3,3-dimethylpentanamide;2-(1-methylcyclopropyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide

N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3,3-dimethylpentanamide;2-(1-methylcyclopropyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide (PubChem CID 160731204) has the molecular formula C95H104ClF18N17O5 and a molecular weight of 1941.41 g/mol. Its IUPAC name is N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3,3-dimethylpentanamide;2-(1-methylcyclopropyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3,3-dimethylpentanamide;2-(1-methylcyclopropyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide
• PubChem CID: 160731204
• Molecular Formula: C95H104ClF18N17O5
• Molecular Weight: 1941.41 g/mol
• Exact Mass: 1939.78
• IUPAC Name: N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3,3-dimethylpentanamide;2-(1-methylcyclopropyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide
• SMILES: CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2cc(F)c(Cl)cc21.CC(F)C(C)(C)CC(=O)Nc1nc2cc(F)c(F)cc2n1C1(C)CCC1.CC1(CC(=O)Nc2nc3cc(F)c(F)c(F)c3n2C2(C)CCC2)CC1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3ccc(F)c(C#N)c32)CCC1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3ccc(F)c(C#N)c32)CCC1
• InChI: InChI=1S/2C20H20F4N4O.C19H24F3N3O.C18H20ClF4N3O.C18H20F3N3O/c2*1-18(6-3-7-18)28-16-12(10-25)13(21)4-5-14(16)26-17(28)27-15(29)8-11-9-20(23,24)19(11,2)22;1-11(20)18(2,3)10-16(26)24-17-23-14-8-12(21)13(22)9-15(14)25(17)19(4)6-5-7-19;1-16(2,3)26-13-6-10(19)11(20)7-12(13)24-15(26)25-14(27)5-9-8-18(22,23)17(9,4)21;1-17(6-7-17)9-12(25)23-16-22-11-8-10(19)13(20)14(21)15(11)24(16)18(2)4-3-5-18/h2*4-5,11H,3,6-9H2,1-2H3,(H,26,27,29);8-9,11H,5-7,10H2,1-4H3,(H,23,24,26);6-7,9H,5,8H2,1-4H3,(H,24,25,27);8H,3-7,9H2,1-2H3,(H,22,23,25)
• InChIKey: RUJBFJJBUCUGNO-UHFFFAOYSA-N
• XLogP: 24.02
• TPSA: 282.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1941.41
LogP ≤ 5	24.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3,3-dimethylpentanamide;2-(1-methylcyclopropyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide?

The IUPAC name of N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3,3-dimethylpentanamide;2-(1-methylcyclopropyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide (CID 160731204) is N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3,3-dimethylpentanamide;2-(1-methylcyclopropyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide.

What is the SMILES notation for N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3,3-dimethylpentanamide;2-(1-methylcyclopropyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide?

The canonical SMILES for N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3,3-dimethylpentanamide;2-(1-methylcyclopropyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide is CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2cc(F)c(Cl)cc21.CC(F)C(C)(C)CC(=O)Nc1nc2cc(F)c(F)cc2n1C1(C)CCC1.CC1(CC(=O)Nc2nc3cc(F)c(F)c(F)c3n2C2(C)CCC2)CC1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3ccc(F)c(C#N)c32)CCC1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3ccc(F)c(C#N)c32)CCC1.

What is the InChIKey of N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3,3-dimethylpentanamide;2-(1-methylcyclopropyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide?

The InChIKey is RUJBFJJBUCUGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H20F4N4O.C19H24F3N3O.C18H20ClF4N3O.C18H20F3N3O/c2*1-18(6-3-7-18)28-16-12(10-25)13(21)4-5-14(16)26-17(28)27-15(29)8-11-9-20(23,24)19(11,2)22;1-11(20)18(2,3)10-16(26)24-17-23-14-8-12(21)13(22)9-15(14)25(17)19(4)6-5-7-19;1-16(2,3)26-13-6-10(19)11(20)7-12(13)24-15(26)25-14(27)5-9-8-18(22,23)17(9,4)21;1-17(6-7-17)9-12(25)23-16-22-11-8-10(19)13(20)14(21)15(11)24(16)18(2)4-3-5-18/h2*4-5,11H,3,6-9H2,1-2H3,(H,26,27,29);8-9,11H,5-7,10H2,1-4H3,(H,23,24,26);6-7,9H,5,8H2,1-4H3,(H,24,25,27);8H,3-7,9H2,1-2H3,(H,22,23,25).

What are the key properties of N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3,3-dimethylpentanamide;2-(1-methylcyclopropyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide?

N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3,3-dimethylpentanamide;2-(1-methylcyclopropyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide has a molecular weight of 1941.41 g/mol, XLogP of 24.02, 20 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3,3-dimethylpentanamide;2-(1-methylcyclopropyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide is sourced from PubChem (CID 160731204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).