N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-5,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

C114H140F8N20O10 — CID 160893676

About N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-5,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-5,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 160893676) has the molecular formula C114H140F8N20O10 and a molecular weight of 2102.49 g/mol. Its IUPAC name is N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-5,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-5,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
• PubChem CID: 160893676
• Molecular Formula: C114H140F8N20O10
• Molecular Weight: 2102.49 g/mol
• Exact Mass: 2101.09
• IUPAC Name: N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-5,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
• SMILES: CC(C)(C)CC(=O)Nc1nc2cc(F)cc(F)c2n1C1CCC1.CC(F)(F)C(C)(C)CC(=O)Nc1nc2c(F)cc(O)cc2n1C1CCC1.COc1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1.COc1cccc2nc(NC(=O)CC(C)(O)c3ccccc3)n(C3CCC3)c12.[C-]#[N+]c1c(F)cc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1F.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C3CC3)n(C(C)(C)C)c2c1
• InChI: InChI=1S/C22H25N3O3.C20H26N4O.C19H26FN3O2.C18H22F3N3O2.C18H20F2N4O.C17H21F2N3O/c1-22(27,15-8-4-3-5-9-15)14-19(26)24-21-23-17-12-7-13-18(28-2)20(17)25(21)16-10-6-11-16;1-19(2,3)24-16-11-14(21-6)9-10-15(16)22-18(24)23-17(25)12-20(4,5)13-7-8-13;1-18(2,3)11-15(24)21-17-22-16-13(20)9-12(25-5)10-14(16)23(17)19(4)7-6-8-19;1-17(2,18(3,20)21)9-14(26)22-16-23-15-12(19)7-11(25)8-13(15)24(16)10-5-4-6-10;1-18(2,3)9-13(25)23-17-22-12-8-11(19)15(21-4)14(20)16(12)24(17)10-6-5-7-10;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/h3-5,7-9,12-13,16,27H,6,10-11,14H2,1-2H3,(H,23,24,26);9-11,13H,7-8,12H2,1-5H3,(H,22,23,25);9-10H,6-8,11H2,1-5H3,(H,21,22,24);7-8,10,25H,4-6,9H2,1-3H3,(H,22,23,26);8,10H,5-7,9H2,1-3H3,(H,22,23,25);7-8,11H,4-6,9H2,1-3H3,(H,20,21,23)
• InChIKey: SOPDAHZGZHRJGZ-UHFFFAOYSA-N
• XLogP: 27.57
• TPSA: 349.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2102.49
LogP ≤ 5	27.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-5,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The IUPAC name of N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-5,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 160893676) is N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-5,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

What is the SMILES notation for N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-5,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The canonical SMILES for N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-5,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2cc(F)cc(F)c2n1C1CCC1.CC(F)(F)C(C)(C)CC(=O)Nc1nc2c(F)cc(O)cc2n1C1CCC1.COc1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1.COc1cccc2nc(NC(=O)CC(C)(O)c3ccccc3)n(C3CCC3)c12.[C-]#[N+]c1c(F)cc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1F.[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(C)C3CC3)n(C(C)(C)C)c2c1.

What is the InChIKey of N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-5,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The InChIKey is SOPDAHZGZHRJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3.C20H26N4O.C19H26FN3O2.C18H22F3N3O2.C18H20F2N4O.C17H21F2N3O/c1-22(27,15-8-4-3-5-9-15)14-19(26)24-21-23-17-12-7-13-18(28-2)20(17)25(21)16-10-6-11-16;1-19(2,3)24-16-11-14(21-6)9-10-15(16)22-18(24)23-17(25)12-20(4,5)13-7-8-13;1-18(2,3)11-15(24)21-17-22-16-13(20)9-12(25-5)10-14(16)23(17)19(4)7-6-8-19;1-17(2,18(3,20)21)9-14(26)22-16-23-15-12(19)7-11(25)8-13(15)24(16)10-5-4-6-10;1-18(2,3)9-13(25)23-17-22-12-8-11(19)15(21-4)14(20)16(12)24(17)10-6-5-7-10;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/h3-5,7-9,12-13,16,27H,6,10-11,14H2,1-2H3,(H,23,24,26);9-11,13H,7-8,12H2,1-5H3,(H,22,23,25);9-10H,6-8,11H2,1-5H3,(H,21,22,24);7-8,10,25H,4-6,9H2,1-3H3,(H,22,23,26);8,10H,5-7,9H2,1-3H3,(H,22,23,25);7-8,11H,4-6,9H2,1-3H3,(H,20,21,23).

What are the key properties of N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-5,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-5,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 2102.49 g/mol, XLogP of 27.57, 25 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-(1-cyclobutyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-5,7-difluoro-6-isocyanobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4-difluoro-3,3-dimethylpentanamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide;N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 160893676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).