N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide

C102H124F16N16O10 — CID 157291141

About N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide

N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide (PubChem CID 157291141) has the molecular formula C102H124F16N16O10 and a molecular weight of 2038.18 g/mol. Its IUPAC name is N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide.

Molecular Properties

• Compound Name: N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide
• PubChem CID: 157291141
• Molecular Formula: C102H124F16N16O10
• Molecular Weight: 2038.18 g/mol
• Exact Mass: 2036.94
• IUPAC Name: N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide
• SMILES: CC(C(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1)C1(C)CC1.CC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)c(OC(F)(F)F)c2n1C1CCC1.CC(C)(O)c1cc(F)c2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3(C)CCC3)c2c1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3cc(F)c(F)cc32)CCC1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1OC(F)(F)F
• InChI: InChI=1S/C22H27F4N3O2.C21H28F3N3O3.C21H28FN3O2.C19H20F5N3O.C19H21F3N4O2/c1-19(2,31)12-8-14(23)17-15(9-12)29(20(3)6-5-7-20)18(28-17)27-16(30)10-13-11-22(25,26)21(13,4)24;1-19(2,3)11-15(28)26-18-25-14-10-9-13(20(4,5)29)17(30-21(22,23)24)16(14)27(18)12-7-6-8-12;1-12(21(4)8-9-21)18(26)24-19-23-17-15(22)10-13(20(2,3)27)11-16(17)25(19)14-6-5-7-14;1-17(4-3-5-17)27-14-8-12(21)11(20)7-13(14)25-16(27)26-15(28)6-10-9-19(23,24)18(10,2)22;1-18(2,3)10-14(27)25-17-24-12-8-9-13(23-4)16(28-19(20,21)22)15(12)26(17)11-6-5-7-11/h8-9,13,31H,5-7,10-11H2,1-4H3,(H,27,28,30);9-10,12,29H,6-8,11H2,1-5H3,(H,25,26,28);10-12,14,27H,5-9H2,1-4H3,(H,23,24,26);7-8,10H,3-6,9H2,1-2H3,(H,25,26,28);8-9,11H,5-7,10H2,1-3H3,(H,24,25,27)
• InChIKey: BAUXGSGHYKOQTJ-UHFFFAOYSA-N
• XLogP: 25.29
• TPSA: 318.11 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2038.18
LogP ≤ 5	25.29
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?

The IUPAC name of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide (CID 157291141) is N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide.

What is the SMILES notation for N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?

The canonical SMILES for N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide is CC(C(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1)C1(C)CC1.CC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)c(OC(F)(F)F)c2n1C1CCC1.CC(C)(O)c1cc(F)c2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3(C)CCC3)c2c1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3cc(F)c(F)cc32)CCC1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1OC(F)(F)F.

What is the InChIKey of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?

The InChIKey is BAUXGSGHYKOQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F4N3O2.C21H28F3N3O3.C21H28FN3O2.C19H20F5N3O.C19H21F3N4O2/c1-19(2,31)12-8-14(23)17-15(9-12)29(20(3)6-5-7-20)18(28-17)27-16(30)10-13-11-22(25,26)21(13,4)24;1-19(2,3)11-15(28)26-18-25-14-10-9-13(20(4,5)29)17(30-21(22,23)24)16(14)27(18)12-7-6-8-12;1-12(21(4)8-9-21)18(26)24-19-23-17-15(22)10-13(20(2,3)27)11-16(17)25(19)14-6-5-7-14;1-17(4-3-5-17)27-14-8-12(21)11(20)7-13(14)25-16(27)26-15(28)6-10-9-19(23,24)18(10,2)22;1-18(2,3)10-14(27)25-17-24-12-8-9-13(23-4)16(28-19(20,21)22)15(12)26(17)11-6-5-7-11/h8-9,13,31H,5-7,10-11H2,1-4H3,(H,27,28,30);9-10,12,29H,6-8,11H2,1-5H3,(H,25,26,28);10-12,14,27H,5-9H2,1-4H3,(H,23,24,26);7-8,10H,3-6,9H2,1-2H3,(H,25,26,28);8-9,11H,5-7,10H2,1-3H3,(H,24,25,27).

What are the key properties of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?

N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide has a molecular weight of 2038.18 g/mol, XLogP of 25.29, 23 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)propanamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-isocyano-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[5,6-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide is sourced from PubChem (CID 157291141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).