N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2,6-difluorophenyl)-3-hydroxybutanamide;N-[7-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide

C105H122F9N17O10 — CID 159364346

IUPACN-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2,6-difluorophenyl)-3-hydroxybutanamide;N-[7-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2cc(F)c(C(C)(C)O)c(F)c2n1C1CCC1.CC(C)(O)c1cc(F)c2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3CCC3)c2c1.CC(O)(CC(=O)Nc1nc2ccc(C#N)cc2n1C1(C)CCC1)c1c(F)cccc1F.CC(O)(CC(=O)Nc1nc2cccc(C#N)c2n1C1(C)CCC1)c1ccccc1.COc1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1
InChIInChI=1S/C23H22F2N4O2.C23H24N4O2.C21H25F4N3O2.C20H27F2N3O2.C18H24FN3O2/c1-22(9-4-10-22)29-18-11-14(13-26)7-8-17(18)27-21(29)28-19(30)12-23(2,31)20-15(24)5-3-6-16(20)25;1-22(12-7-13-22)27-20-16(15-24)8-6-11-18(20)25-21(27)26-19(28)14-23(2,29)17-9-4-3-5-10-17;1-19(2,30)11-7-14(22)17-15(8-11)28(13-5-4-6-13)18(27-17)26-16(29)9-12-10-21(24,25)20(12,3)23;1-19(2,3)10-14(26)24-18-23-13-9-12(21)15(20(4,5)27)16(22)17(13)25(18)11-7-6-8-11;1-18(2,3)10-15(23)20-17-21-16-13(19)8-12(24-4)9-14(16)22(17)11-6-5-7-11/h3,5-8,11,31H,4,9-10,12H2,1-2H3,(H,27,28,30);3-6,8-11,29H,7,12-14H2,1-2H3,(H,25,26,28);7-8,12-13,30H,4-6,9-10H2,1-3H3,(H,26,27,29);9,11,27H,6-8,10H2,1-5H3,(H,23,24,26);8-9,11H,5-7,10H2,1-4H3,(H,20,21,23)
InChIKeyLIXZWUXDKBBUIP-UHFFFAOYSA-N
MW1953.22 g/mol
LogP22.13
Rot. Bonds23

About N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2,6-difluorophenyl)-3-hydroxybutanamide;N-[7-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide

N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2,6-difluorophenyl)-3-hydroxybutanamide;N-[7-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide (PubChem CID 159364346) has the molecular formula C105H122F9N17O10 and a molecular weight of 1953.22 g/mol. Its IUPAC name is N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2,6-difluorophenyl)-3-hydroxybutanamide;N-[7-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2,6-difluorophenyl)-3-hydroxybutanamide;N-[7-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide
PubChem CID159364346
Molecular FormulaC105H122F9N17O10
Molecular Weight1953.22 g/mol
Exact Mass1951.94
IUPAC NameN-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2,6-difluorophenyl)-3-hydroxybutanamide;N-[7-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2cc(F)c(C(C)(C)O)c(F)c2n1C1CCC1.CC(C)(O)c1cc(F)c2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3CCC3)c2c1.CC(O)(CC(=O)Nc1nc2ccc(C#N)cc2n1C1(C)CCC1)c1c(F)cccc1F.CC(O)(CC(=O)Nc1nc2cccc(C#N)c2n1C1(C)CCC1)c1ccccc1.COc1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1
InChIInChI=1S/C23H22F2N4O2.C23H24N4O2.C21H25F4N3O2.C20H27F2N3O2.C18H24FN3O2/c1-22(9-4-10-22)29-18-11-14(13-26)7-8-17(18)27-21(29)28-19(30)12-23(2,31)20-15(24)5-3-6-16(20)25;1-22(12-7-13-22)27-20-16(15-24)8-6-11-18(20)25-21(27)26-19(28)14-23(2,29)17-9-4-3-5-10-17;1-19(2,30)11-7-14(22)17-15(8-11)28(13-5-4-6-13)18(27-17)26-16(29)9-12-10-21(24,25)20(12,3)23;1-19(2,3)10-14(26)24-18-23-13-9-12(21)15(20(4,5)27)16(22)17(13)25(18)11-7-6-8-11;1-18(2,3)10-15(23)20-17-21-16-13(19)8-12(24-4)9-14(16)22(17)11-6-5-7-11/h3,5-8,11,31H,4,9-10,12H2,1-2H3,(H,27,28,30);3-6,8-11,29H,7,12-14H2,1-2H3,(H,25,26,28);7-8,12-13,30H,4-6,9-10H2,1-3H3,(H,26,27,29);9,11,27H,6-8,10H2,1-5H3,(H,23,24,26);8-9,11H,5-7,10H2,1-4H3,(H,20,21,23)
InChIKeyLIXZWUXDKBBUIP-UHFFFAOYSA-N
XLogP22.13
TPSA372.33 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001953.22
LogP ≤ 522.13
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Analyze N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2,6-difluorophenyl)-3-hydroxybutanamide;N-[7-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2,6-difluorophenyl)-3-hydroxybutanamide;N-[7-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2,6-difluorophenyl)-3-hydroxybutanamide;N-[7-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide (CID 159364346) is N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2,6-difluorophenyl)-3-hydroxybutanamide;N-[7-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2,6-difluorophenyl)-3-hydroxybutanamide;N-[7-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2,6-difluorophenyl)-3-hydroxybutanamide;N-[7-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2cc(F)c(C(C)(C)O)c(F)c2n1C1CCC1.CC(C)(O)c1cc(F)c2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3CCC3)c2c1.CC(O)(CC(=O)Nc1nc2ccc(C#N)cc2n1C1(C)CCC1)c1c(F)cccc1F.CC(O)(CC(=O)Nc1nc2cccc(C#N)c2n1C1(C)CCC1)c1ccccc1.COc1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1.
What is the InChIKey of N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2,6-difluorophenyl)-3-hydroxybutanamide;N-[7-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide?
The InChIKey is LIXZWUXDKBBUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O2.C23H24N4O2.C21H25F4N3O2.C20H27F2N3O2.C18H24FN3O2/c1-22(9-4-10-22)29-18-11-14(13-26)7-8-17(18)27-21(29)28-19(30)12-23(2,31)20-15(24)5-3-6-16(20)25;1-22(12-7-13-22)27-20-16(15-24)8-6-11-18(20)25-21(27)26-19(28)14-23(2,29)17-9-4-3-5-10-17;1-19(2,30)11-7-14(22)17-15(8-11)28(13-5-4-6-13)18(27-17)26-16(29)9-12-10-21(24,25)20(12,3)23;1-19(2,3)10-14(26)24-18-23-13-9-12(21)15(20(4,5)27)16(22)17(13)25(18)11-7-6-8-11;1-18(2,3)10-15(23)20-17-21-16-13(19)8-12(24-4)9-14(16)22(17)11-6-5-7-11/h3,5-8,11,31H,4,9-10,12H2,1-2H3,(H,27,28,30);3-6,8-11,29H,7,12-14H2,1-2H3,(H,25,26,28);7-8,12-13,30H,4-6,9-10H2,1-3H3,(H,26,27,29);9,11,27H,6-8,10H2,1-5H3,(H,23,24,26);8-9,11H,5-7,10H2,1-4H3,(H,20,21,23).
What are the key properties of N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2,6-difluorophenyl)-3-hydroxybutanamide;N-[7-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide?
N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2,6-difluorophenyl)-3-hydroxybutanamide;N-[7-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide has a molecular weight of 1953.22 g/mol, XLogP of 22.13, 23 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2,6-difluorophenyl)-3-hydroxybutanamide;N-[7-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 159364346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).