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

C111H135Cl5F12N18O8 — CID 159211671

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

N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide (PubChem CID 159211671) has the molecular formula C111H135Cl5F12N18O8 and a molecular weight of 2254.66 g/mol. Its IUPAC name is N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide.

Molecular Properties

• Compound Name: N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
• PubChem CID: 159211671
• Molecular Formula: C111H135Cl5F12N18O8
• Molecular Weight: 2254.66 g/mol
• Exact Mass: 2250.90
• IUPAC Name: N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
• SMILES: CC(C)(C)CC(=O)Nc1nc2cc(F)c(Cl)cc2n1C1(C)CCC1.CC(C)(C)n1c(NC(=O)CC(C)(C)C(F)(F)F)nc2cc(F)c(Cl)cc21.CC(C)(C)n1c(NC(=O)C[C@](C)(O)c2ccccc2)nc2cc(F)c(Cl)cc21.CC(C)(CC(=O)Nc1nc2cc(F)c(Cl)cc2n1C(C)(C)C)C(F)F.CC(C)(CC(=O)Nc1nc2cc(F)c(Cl)cc2n1C1(C)CCC1)C(F)F.Cc1cc2c(cc1C1CC1)nc(NC(=O)CC(C)(C)O)n2C1CCC1
• InChI: InChI=1S/C21H23ClFN3O2.C20H27N3O2.C18H21ClF3N3O.C18H23ClFN3O.C17H20ClF4N3O.C17H21ClF3N3O/c1-20(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(2,15(21)22)9-14(26)24-16-23-12-8-11(20)10(19)7-13(12)25(16)18(3)5-4-6-18;1-17(2,3)10-15(24)22-16-21-13-9-12(20)11(19)8-14(13)23(16)18(4)6-5-7-18;1-15(2,3)25-12-6-9(18)10(19)7-11(12)23-14(25)24-13(26)8-16(4,5)17(20,21)22;1-16(2,3)24-12-6-9(18)10(19)7-11(12)22-15(24)23-13(25)8-17(4,5)14(20)21/h5-11,28H,12H2,1-4H3,(H,24,25,27);9-10,13-14,25H,4-8,11H2,1-3H3,(H,21,22,24);7-8,15H,4-6,9H2,1-3H3,(H,23,24,26);8-9H,5-7,10H2,1-4H3,(H,21,22,24);6-7H,8H2,1-5H3,(H,23,24,26);6-7,14H,8H2,1-5H3,(H,22,23,25)/t21-;;;;;/m0...../s1
• InChIKey: KQOJDLACCPXTGE-DHOIFHORSA-N
• XLogP: 30.02
• TPSA: 321.98 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2254.66
LogP ≤ 5	30.02
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide (CID 159211671) is N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide.

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

The canonical SMILES for N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide is CC(C)(C)CC(=O)Nc1nc2cc(F)c(Cl)cc2n1C1(C)CCC1.CC(C)(C)n1c(NC(=O)CC(C)(C)C(F)(F)F)nc2cc(F)c(Cl)cc21.CC(C)(C)n1c(NC(=O)C[C@](C)(O)c2ccccc2)nc2cc(F)c(Cl)cc21.CC(C)(CC(=O)Nc1nc2cc(F)c(Cl)cc2n1C(C)(C)C)C(F)F.CC(C)(CC(=O)Nc1nc2cc(F)c(Cl)cc2n1C1(C)CCC1)C(F)F.Cc1cc2c(cc1C1CC1)nc(NC(=O)CC(C)(C)O)n2C1CCC1.

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

The InChIKey is KQOJDLACCPXTGE-DHOIFHORSA-N. The full InChI is InChI=1S/C21H23ClFN3O2.C20H27N3O2.C18H21ClF3N3O.C18H23ClFN3O.C17H20ClF4N3O.C17H21ClF3N3O/c1-20(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(2,15(21)22)9-14(26)24-16-23-12-8-11(20)10(19)7-13(12)25(16)18(3)5-4-6-18;1-17(2,3)10-15(24)22-16-21-13-9-12(20)11(19)8-14(13)23(16)18(4)6-5-7-18;1-15(2,3)25-12-6-9(18)10(19)7-11(12)23-14(25)24-13(26)8-16(4,5)17(20,21)22;1-16(2,3)24-12-6-9(18)10(19)7-11(12)22-15(24)23-13(25)8-17(4,5)14(20)21/h5-11,28H,12H2,1-4H3,(H,24,25,27);9-10,13-14,25H,4-8,11H2,1-3H3,(H,21,22,24);7-8,15H,4-6,9H2,1-3H3,(H,23,24,26);8-9H,5-7,10H2,1-4H3,(H,21,22,24);6-7H,8H2,1-5H3,(H,23,24,26);6-7,14H,8H2,1-5H3,(H,22,23,25)/t21-;;;;;/m0...../s1.

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

N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide has a molecular weight of 2254.66 g/mol, XLogP of 30.02, 24 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide;N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-cyclopropyl-6-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 159211671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).