1'-(6-acetyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one

C119H105ClF3N21O15S — CID 159416738

About 1'-(6-acetyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one

1'-(6-acetyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 159416738) has the molecular formula C119H105ClF3N21O15S and a molecular weight of 2193.79 g/mol. Its IUPAC name is 1'-(6-acetyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

• Compound Name: 1'-(6-acetyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one
• PubChem CID: 159416738
• Molecular Formula: C119H105ClF3N21O15S
• Molecular Weight: 2193.79 g/mol
• Exact Mass: 2191.75
• IUPAC Name: 1'-(6-acetyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one
• SMILES: CC(=O)c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.CCCS(=O)(=O)c1cnc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.N#Cc1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.O=C1OC2(CCN(c3nc4c(Cl)cccc4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4ncc(C(F)(F)F)cc4[nH]3)CC2)c2ccccc21
• InChI: InChI=1S/C21H22N4O4S.C21H19N3O3.C20H16N4O2.C19H16ClN3O2.C19H15F3N4O2.C19H17N3O2/c1-2-11-30(27,28)14-12-17-18(22-13-14)24-20(23-17)25-9-7-21(8-10-25)16-6-4-3-5-15(16)19(26)29-21;1-13(25)14-6-7-17-18(12-14)23-20(22-17)24-10-8-21(9-11-24)16-5-3-2-4-15(16)19(26)27-21;21-12-13-5-6-16-17(11-13)23-19(22-16)24-9-7-20(8-10-24)15-4-2-1-3-14(15)18(25)26-20;20-14-6-3-7-15-16(14)22-18(21-15)23-10-8-19(9-11-23)13-5-2-1-4-12(13)17(24)25-19;20-19(21,22)11-9-14-15(23-10-11)25-17(24-14)26-7-5-18(6-8-26)13-4-2-1-3-12(13)16(27)28-18;23-17-13-5-1-2-6-14(13)19(24-17)9-11-22(12-10-19)18-20-15-7-3-4-8-16(15)21-18/h3-6,12-13H,2,7-11H2,1H3,(H,22,23,24);2-7,12H,8-11H2,1H3,(H,22,23);1-6,11H,7-10H2,(H,22,23);1-7H,8-11H2,(H,21,22);1-4,9-10H,5-8H2,(H,23,24,25);1-8H,9-12H2,(H,20,21)
• InChIKey: LPGHJGFPCTYQMI-UHFFFAOYSA-N
• XLogP: 20.09
• TPSA: 450.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2193.79
LogP ≤ 5	20.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1'-(6-acetyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one?

The IUPAC name of 1'-(6-acetyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 159416738) is 1'-(6-acetyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one.

What is the SMILES notation for 1'-(6-acetyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one?

The canonical SMILES for 1'-(6-acetyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one is CC(=O)c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.CCCS(=O)(=O)c1cnc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.N#Cc1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.O=C1OC2(CCN(c3nc4c(Cl)cccc4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4ncc(C(F)(F)F)cc4[nH]3)CC2)c2ccccc21.

What is the InChIKey of 1'-(6-acetyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one?

The InChIKey is LPGHJGFPCTYQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S.C21H19N3O3.C20H16N4O2.C19H16ClN3O2.C19H15F3N4O2.C19H17N3O2/c1-2-11-30(27,28)14-12-17-18(22-13-14)24-20(23-17)25-9-7-21(8-10-25)16-6-4-3-5-15(16)19(26)29-21;1-13(25)14-6-7-17-18(12-14)23-20(22-17)24-10-8-21(9-11-24)16-5-3-2-4-15(16)19(26)27-21;21-12-13-5-6-16-17(11-13)23-19(22-16)24-9-7-20(8-10-24)15-4-2-1-3-14(15)18(25)26-20;20-14-6-3-7-15-16(14)22-18(21-15)23-10-8-19(9-11-23)13-5-2-1-4-12(13)17(24)25-19;20-19(21,22)11-9-14-15(23-10-11)25-17(24-14)26-7-5-18(6-8-26)13-4-2-1-3-12(13)16(27)28-18;23-17-13-5-1-2-6-14(13)19(24-17)9-11-22(12-10-19)18-20-15-7-3-4-8-16(15)21-18/h3-6,12-13H,2,7-11H2,1H3,(H,22,23,24);2-7,12H,8-11H2,1H3,(H,22,23);1-6,11H,7-10H2,(H,22,23);1-7H,8-11H2,(H,21,22);1-4,9-10H,5-8H2,(H,23,24,25);1-8H,9-12H2,(H,20,21).

What are the key properties of 1'-(6-acetyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one?

1'-(6-acetyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 2193.79 g/mol, XLogP of 20.09, 10 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(6-acetyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(4-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 159416738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).