N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-(2-fluorophenyl)-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(dimethylamino)-7-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

C118H149F9N20O8 — CID 158085906

About N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-(2-fluorophenyl)-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(dimethylamino)-7-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-(2-fluorophenyl)-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(dimethylamino)-7-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 158085906) has the molecular formula C118H149F9N20O8 and a molecular weight of 2146.60 g/mol. Its IUPAC name is N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-(2-fluorophenyl)-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(dimethylamino)-7-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-(2-fluorophenyl)-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(dimethylamino)-7-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
• PubChem CID: 158085906
• Molecular Formula: C118H149F9N20O8
• Molecular Weight: 2146.60 g/mol
• Exact Mass: 2145.17
• IUPAC Name: N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-(2-fluorophenyl)-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(dimethylamino)-7-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
• SMILES: CC(C)(C)CC(=O)Nc1nc2cc(C(C)(C)O)c(C(F)(F)F)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2cc(F)cc(F)c2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2cc(F)ccc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(C3(O)CCC3)c(F)c2n1C1CCC1.CC(C)(CC(=O)Nc1nc2ccc(C#N)cc2n1C1CCC1)c1ccccc1F.CN(C)c1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1F
• InChI: InChI=1S/C23H23FN4O.C21H28F3N3O2.C21H28FN3O2.C19H27FN4O.C17H21F2N3O.C17H22FN3O/c1-23(2,17-8-3-4-9-18(17)24)13-21(29)27-22-26-19-11-10-15(14-25)12-20(19)28(22)16-6-5-7-16;1-19(2,3)11-17(28)26-18-25-15-9-13(20(4,5)29)14(21(22,23)24)10-16(15)27(18)12-7-6-8-12;1-20(2,3)12-16(26)24-19-23-15-9-8-14(21(27)10-5-11-21)17(22)18(15)25(19)13-6-4-7-13;1-19(2,3)11-15(25)22-18-21-13-9-10-14(23(4)5)16(20)17(13)24(18)12-7-6-8-12;1-17(2,3)9-14(23)21-16-20-13-8-10(18)7-12(19)15(13)22(16)11-5-4-6-11;1-17(2,3)10-15(22)20-16-19-13-9-11(18)7-8-14(13)21(16)12-5-4-6-12/h3-4,8-12,16H,5-7,13H2,1-2H3,(H,26,27,29);9-10,12,29H,6-8,11H2,1-5H3,(H,25,26,28);8-9,13,27H,4-7,10-12H2,1-3H3,(H,23,24,26);9-10,12H,6-8,11H2,1-5H3,(H,21,22,25);7-8,11H,4-6,9H2,1-3H3,(H,20,21,23);7-9,12H,4-6,10H2,1-3H3,(H,19,20,22)
• InChIKey: FNMXPPQJXYKWEW-UHFFFAOYSA-N
• XLogP: 28.14
• TPSA: 349.01 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2146.60
LogP ≤ 5	28.14
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-(2-fluorophenyl)-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(dimethylamino)-7-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The IUPAC name of N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-(2-fluorophenyl)-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(dimethylamino)-7-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 158085906) is N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-(2-fluorophenyl)-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(dimethylamino)-7-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

What is the SMILES notation for N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-(2-fluorophenyl)-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(dimethylamino)-7-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The canonical SMILES for N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-(2-fluorophenyl)-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(dimethylamino)-7-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2cc(C(C)(C)O)c(C(F)(F)F)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2cc(F)cc(F)c2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2cc(F)ccc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(C3(O)CCC3)c(F)c2n1C1CCC1.CC(C)(CC(=O)Nc1nc2ccc(C#N)cc2n1C1CCC1)c1ccccc1F.CN(C)c1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1F.

What is the InChIKey of N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-(2-fluorophenyl)-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(dimethylamino)-7-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The InChIKey is FNMXPPQJXYKWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O.C21H28F3N3O2.C21H28FN3O2.C19H27FN4O.C17H21F2N3O.C17H22FN3O/c1-23(2,17-8-3-4-9-18(17)24)13-21(29)27-22-26-19-11-10-15(14-25)12-20(19)28(22)16-6-5-7-16;1-19(2,3)11-17(28)26-18-25-15-9-13(20(4,5)29)14(21(22,23)24)10-16(15)27(18)12-7-6-8-12;1-20(2,3)12-16(26)24-19-23-15-9-8-14(21(27)10-5-11-21)17(22)18(15)25(19)13-6-4-7-13;1-19(2,3)11-15(25)22-18-21-13-9-10-14(23(4)5)16(20)17(13)24(18)12-7-6-8-12;1-17(2,3)9-14(23)21-16-20-13-8-10(18)7-12(19)15(13)22(16)11-5-4-6-11;1-17(2,3)10-15(22)20-16-19-13-9-11(18)7-8-14(13)21(16)12-5-4-6-12/h3-4,8-12,16H,5-7,13H2,1-2H3,(H,26,27,29);9-10,12,29H,6-8,11H2,1-5H3,(H,25,26,28);8-9,13,27H,4-7,10-12H2,1-3H3,(H,23,24,26);9-10,12H,6-8,11H2,1-5H3,(H,21,22,25);7-8,11H,4-6,9H2,1-3H3,(H,20,21,23);7-9,12H,4-6,10H2,1-3H3,(H,19,20,22).

What are the key properties of N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-(2-fluorophenyl)-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(dimethylamino)-7-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-(2-fluorophenyl)-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(dimethylamino)-7-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 2146.60 g/mol, XLogP of 28.14, 23 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3-(2-fluorophenyl)-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(dimethylamino)-7-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(1-hydroxycyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 158085906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).