N-[7-acetyl-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-4-fluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-5-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;(2S)-N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

C123H154F10N20O11 — CID 158376135

About N-[7-acetyl-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-4-fluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-5-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;(2S)-N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

N-[7-acetyl-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-4-fluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-5-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;(2S)-N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 158376135) has the molecular formula C123H154F10N20O11 and a molecular weight of 2278.69 g/mol. Its IUPAC name is N-[7-acetyl-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-4-fluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-5-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;(2S)-N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-[7-acetyl-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-4-fluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-5-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;(2S)-N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
• PubChem CID: 158376135
• Molecular Formula: C123H154F10N20O11
• Molecular Weight: 2278.69 g/mol
• Exact Mass: 2277.19
• IUPAC Name: N-[7-acetyl-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-4-fluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-5-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;(2S)-N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
• SMILES: CC(=O)c1c(F)ccc2nc(NC(=O)CC(C)(O)c3ccccc3)n(C3(C)CCC3)c12.CC(C)(C)CC(=O)Nc1nc2cc(F)c(C(C)(C)O)c(F)c2n1C1CCC1.CC(C)(CC(=O)Nc1nc2cc(F)c(OC(F)F)cc2n1C1CCC1)C1CC1.C[C@H](C(=O)Nc1nc2ccc(C(C)(C)O)cc2n1C1CC(F)(F)C1)C(C)(C)C.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC(C)(C)C(C)F)n(C(C)(C)C)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1
• InChI: InChI=1S/C24H26FN3O3.C21H29F2N3O2.C20H24F3N3O2.C20H27F2N3O2.C19H24F2N4O.C19H24N4O/c1-15(29)20-17(25)10-11-18-21(20)28(23(2)12-7-13-23)22(26-18)27-19(30)14-24(3,31)16-8-5-4-6-9-16;1-12(19(2,3)4)17(27)25-18-24-15-8-7-13(20(5,6)28)9-16(15)26(18)14-10-21(22,23)11-14;1-20(2,11-6-7-11)10-17(27)25-19-24-14-8-13(21)16(28-18(22)23)9-15(14)26(19)12-4-3-5-12;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;1-11(20)19(5,6)10-15(26)23-17-24-16-13(21)8-12(22-7)9-14(16)25(17)18(2,3)4;1-18(2,3)12-16(24)22-17-21-14-8-7-13(20-5)11-15(14)23(17)19(4)9-6-10-19/h4-6,8-11,31H,7,12-14H2,1-3H3,(H,26,27,30);7-9,12,14,28H,10-11H2,1-6H3,(H,24,25,27);8-9,11-12,18H,3-7,10H2,1-2H3,(H,24,25,27);9,11,27H,6-8,10H2,1-5H3,(H,23,24,26);8-9,11H,10H2,1-6H3,(H,23,24,26);7-8,11H,6,9-10,12H2,1-4H3,(H,21,22,24)/t;12-;;;;/m.1..../s1
• InChIKey: GVFIXDUGAVCOLV-CKFMKZRUSA-N
• XLogP: 29.33
• TPSA: 377.23 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 28
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2278.69
LogP ≤ 5	29.33
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[7-acetyl-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-4-fluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-5-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;(2S)-N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The IUPAC name of N-[7-acetyl-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-4-fluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-5-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;(2S)-N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 158376135) is N-[7-acetyl-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-4-fluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-5-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;(2S)-N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

What is the SMILES notation for N-[7-acetyl-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-4-fluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-5-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;(2S)-N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The canonical SMILES for N-[7-acetyl-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-4-fluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-5-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;(2S)-N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(=O)c1c(F)ccc2nc(NC(=O)CC(C)(O)c3ccccc3)n(C3(C)CCC3)c12.CC(C)(C)CC(=O)Nc1nc2cc(F)c(C(C)(C)O)c(F)c2n1C1CCC1.CC(C)(CC(=O)Nc1nc2cc(F)c(OC(F)F)cc2n1C1CCC1)C1CC1.C[C@H](C(=O)Nc1nc2ccc(C(C)(C)O)cc2n1C1CC(F)(F)C1)C(C)(C)C.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC(C)(C)C(C)F)n(C(C)(C)C)c2c1.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1.

What is the InChIKey of N-[7-acetyl-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-4-fluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-5-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;(2S)-N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The InChIKey is GVFIXDUGAVCOLV-CKFMKZRUSA-N. The full InChI is InChI=1S/C24H26FN3O3.C21H29F2N3O2.C20H24F3N3O2.C20H27F2N3O2.C19H24F2N4O.C19H24N4O/c1-15(29)20-17(25)10-11-18-21(20)28(23(2)12-7-13-23)22(26-18)27-19(30)14-24(3,31)16-8-5-4-6-9-16;1-12(19(2,3)4)17(27)25-18-24-15-8-7-13(20(5,6)28)9-16(15)26(18)14-10-21(22,23)11-14;1-20(2,11-6-7-11)10-17(27)25-19-24-14-8-13(21)16(28-18(22)23)9-15(14)26(19)12-4-3-5-12;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;1-11(20)19(5,6)10-15(26)23-17-24-16-13(21)8-12(22-7)9-14(16)25(17)18(2,3)4;1-18(2,3)12-16(24)22-17-21-14-8-7-13(20-5)11-15(14)23(17)19(4)9-6-10-19/h4-6,8-11,31H,7,12-14H2,1-3H3,(H,26,27,30);7-9,12,14,28H,10-11H2,1-6H3,(H,24,25,27);8-9,11-12,18H,3-7,10H2,1-2H3,(H,24,25,27);9,11,27H,6-8,10H2,1-5H3,(H,23,24,26);8-9,11H,10H2,1-6H3,(H,23,24,26);7-8,11H,6,9-10,12H2,1-4H3,(H,21,22,24)/t;12-;;;;/m.1..../s1.

What are the key properties of N-[7-acetyl-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-4-fluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-5-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;(2S)-N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

N-[7-acetyl-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-4-fluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-5-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;(2S)-N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 2278.69 g/mol, XLogP of 29.33, 28 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-acetyl-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-4-fluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-5-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;(2S)-N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 158376135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).