N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;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-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide

C106H135Cl4F13N18O8 — CID 162075389

IUPACN-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;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-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide
SMILESCC(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)(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.CCC(O)(CF)CC(=O)Nc1nc2ccc(C)cc2n1C(C)(C)C.CCC(O)(CF)CC(=O)Nc1nc2ccc(C)cc2n1C1CCC1
InChIInChI=1S/C18H21ClF3N3O.C18H23ClFN3O.C18H24FN3O2.C18H26FN3O2.C17H20ClF4N3O.C17H21ClF3N3O/c1-17(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;1-3-18(24,11-19)10-16(23)21-17-20-14-8-7-12(2)9-15(14)22(17)13-5-4-6-13;1-6-18(24,11-19)10-15(23)21-16-20-13-8-7-12(2)9-14(13)22(16)17(3,4)5;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/h7-8,15H,4-6,9H2,1-3H3,(H,23,24,26);8-9H,5-7,10H2,1-4H3,(H,21,22,24);7-9,13,24H,3-6,10-11H2,1-2H3,(H,20,21,23);7-9,24H,6,10-11H2,1-5H3,(H,20,21,23);6-7H,8H2,1-5H3,(H,23,24,26);6-7,14H,8H2,1-5H3,(H,22,23,25)
InChIKeyZBQDSRSVHDZOSE-UHFFFAOYSA-N
MW2178.15 g/mol
LogP28.20
Rot. Bonds26

About N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;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-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide

N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;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-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide (PubChem CID 162075389) has the molecular formula C106H135Cl4F13N18O8 and a molecular weight of 2178.15 g/mol. Its IUPAC name is N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;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-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide.

Molecular Properties

Compound NameN-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;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-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide
PubChem CID162075389
Molecular FormulaC106H135Cl4F13N18O8
Molecular Weight2178.15 g/mol
Exact Mass2174.93
IUPAC NameN-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;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-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide
SMILESCC(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)(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.CCC(O)(CF)CC(=O)Nc1nc2ccc(C)cc2n1C(C)(C)C.CCC(O)(CF)CC(=O)Nc1nc2ccc(C)cc2n1C1CCC1
InChIInChI=1S/C18H21ClF3N3O.C18H23ClFN3O.C18H24FN3O2.C18H26FN3O2.C17H20ClF4N3O.C17H21ClF3N3O/c1-17(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;1-3-18(24,11-19)10-16(23)21-17-20-14-8-7-12(2)9-15(14)22(17)13-5-4-6-13;1-6-18(24,11-19)10-15(23)21-16-20-13-8-7-12(2)9-14(13)22(16)17(3,4)5;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/h7-8,15H,4-6,9H2,1-3H3,(H,23,24,26);8-9H,5-7,10H2,1-4H3,(H,21,22,24);7-9,13,24H,3-6,10-11H2,1-2H3,(H,20,21,23);7-9,24H,6,10-11H2,1-5H3,(H,20,21,23);6-7H,8H2,1-5H3,(H,23,24,26);6-7,14H,8H2,1-5H3,(H,22,23,25)
InChIKeyZBQDSRSVHDZOSE-UHFFFAOYSA-N
XLogP28.20
TPSA321.98 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002178.15
LogP ≤ 528.20
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;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-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide with MolForge

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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;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;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-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide?
The IUPAC name of N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;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-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide (CID 162075389) is N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;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-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide.
What is the SMILES notation for N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;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-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide?
The canonical SMILES for N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;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-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide 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)(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.CCC(O)(CF)CC(=O)Nc1nc2ccc(C)cc2n1C(C)(C)C.CCC(O)(CF)CC(=O)Nc1nc2ccc(C)cc2n1C1CCC1.
What is the InChIKey of N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;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-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide?
The InChIKey is ZBQDSRSVHDZOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClF3N3O.C18H23ClFN3O.C18H24FN3O2.C18H26FN3O2.C17H20ClF4N3O.C17H21ClF3N3O/c1-17(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;1-3-18(24,11-19)10-16(23)21-17-20-14-8-7-12(2)9-15(14)22(17)13-5-4-6-13;1-6-18(24,11-19)10-15(23)21-16-20-13-8-7-12(2)9-14(13)22(16)17(3,4)5;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/h7-8,15H,4-6,9H2,1-3H3,(H,23,24,26);8-9H,5-7,10H2,1-4H3,(H,21,22,24);7-9,13,24H,3-6,10-11H2,1-2H3,(H,20,21,23);7-9,24H,6,10-11H2,1-5H3,(H,20,21,23);6-7H,8H2,1-5H3,(H,23,24,26);6-7,14H,8H2,1-5H3,(H,22,23,25).
What are the key properties of N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;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-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide?
N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;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-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide has a molecular weight of 2178.15 g/mol, XLogP of 28.20, 26 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;N-(1-tert-butyl-6-chloro-5-fluorobenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;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-6-methylbenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide is sourced from PubChem (CID 162075389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).