1'-(6-benzoyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-bromo-7-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one

C165H140BrCl2F4N27O19 — CID 158712622

About 1'-(6-benzoyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-bromo-7-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one

1'-(6-benzoyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-bromo-7-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 158712622) has the molecular formula C165H140BrCl2F4N27O19 and a molecular weight of 3031.91 g/mol. Its IUPAC name is 1'-(6-benzoyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-bromo-7-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

• Compound Name: 1'-(6-benzoyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-bromo-7-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one
• PubChem CID: 158712622
• Molecular Formula: C165H140BrCl2F4N27O19
• Molecular Weight: 3031.91 g/mol
• Exact Mass: 3027.93
• IUPAC Name: 1'-(6-benzoyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-bromo-7-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one
• SMILES: COc1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.Cc1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.O=C(c1ccccc1)c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.O=C1OC2(CCN(c3nc4ccc(-c5cccnc5)cc4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4ccc(Cl)cc4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4ncc(Br)c(Cl)c4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4ncc(F)cc4[nH]3)CC2)c2ccccc21
• InChI: InChI=1S/C26H21N3O3.C24H20N4O2.C20H16F3N3O3.C20H19N3O3.C20H19N3O2.C19H16ClN3O2.C18H14BrClN4O2.C18H15FN4O2/c30-23(17-6-2-1-3-7-17)18-10-11-21-22(16-18)28-25(27-21)29-14-12-26(13-15-29)20-9-5-4-8-19(20)24(31)32-26;29-22-18-5-1-2-6-19(18)24(30-22)9-12-28(13-10-24)23-26-20-8-7-16(14-21(20)27-23)17-4-3-11-25-15-17;21-20(22,23)28-12-5-6-15-16(11-12)25-18(24-15)26-9-7-19(8-10-26)14-4-2-1-3-13(14)17(27)29-19;1-25-13-6-7-16-17(12-13)22-19(21-16)23-10-8-20(9-11-23)15-5-3-2-4-14(15)18(24)26-20;1-13-6-7-16-17(12-13)22-19(21-16)23-10-8-20(9-11-23)15-5-3-2-4-14(15)18(24)25-20;20-12-5-6-15-16(11-12)22-18(21-15)23-9-7-19(8-10-23)14-4-2-1-3-13(14)17(24)25-19;19-12-9-21-15-14(13(12)20)22-17(23-15)24-7-5-18(6-8-24)11-4-2-1-3-10(11)16(25)26-18;19-11-9-14-15(20-10-11)22-17(21-14)23-7-5-18(6-8-23)13-4-2-1-3-12(13)16(24)25-18/h1-11,16H,12-15H2,(H,27,28);1-8,11,14-15H,9-10,12-13H2,(H,26,27);1-6,11H,7-10H2,(H,24,25);2-7,12H,8-11H2,1H3,(H,21,22);2-7,12H,8-11H2,1H3,(H,21,22);1-6,11H,7-10H2,(H,21,22);1-4,9H,5-8H2,(H,21,22,23);1-4,9-10H,5-8H2,(H,20,21,22)
• InChIKey: IIXMEJKMFZWCJY-UHFFFAOYSA-N
• XLogP: 30.34
• TPSA: 539.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 13
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3031.91
LogP ≤ 5	30.34
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1'-(6-benzoyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-bromo-7-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one?

The IUPAC name of 1'-(6-benzoyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-bromo-7-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 158712622) is 1'-(6-benzoyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-bromo-7-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one.

What is the SMILES notation for 1'-(6-benzoyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-bromo-7-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one?

The canonical SMILES for 1'-(6-benzoyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-bromo-7-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one is COc1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.Cc1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.O=C(c1ccccc1)c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.O=C1OC2(CCN(c3nc4ccc(-c5cccnc5)cc4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4ccc(Cl)cc4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4ncc(Br)c(Cl)c4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4ncc(F)cc4[nH]3)CC2)c2ccccc21.

What is the InChIKey of 1'-(6-benzoyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-bromo-7-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one?

The InChIKey is IIXMEJKMFZWCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3.C24H20N4O2.C20H16F3N3O3.C20H19N3O3.C20H19N3O2.C19H16ClN3O2.C18H14BrClN4O2.C18H15FN4O2/c30-23(17-6-2-1-3-7-17)18-10-11-21-22(16-18)28-25(27-21)29-14-12-26(13-15-29)20-9-5-4-8-19(20)24(31)32-26;29-22-18-5-1-2-6-19(18)24(30-22)9-12-28(13-10-24)23-26-20-8-7-16(14-21(20)27-23)17-4-3-11-25-15-17;21-20(22,23)28-12-5-6-15-16(11-12)25-18(24-15)26-9-7-19(8-10-26)14-4-2-1-3-13(14)17(27)29-19;1-25-13-6-7-16-17(12-13)22-19(21-16)23-10-8-20(9-11-23)15-5-3-2-4-14(15)18(24)26-20;1-13-6-7-16-17(12-13)22-19(21-16)23-10-8-20(9-11-23)15-5-3-2-4-14(15)18(24)25-20;20-12-5-6-15-16(11-12)22-18(21-15)23-9-7-19(8-10-23)14-4-2-1-3-13(14)17(24)25-19;19-12-9-21-15-14(13(12)20)22-17(23-15)24-7-5-18(6-8-24)11-4-2-1-3-10(11)16(25)26-18;19-11-9-14-15(20-10-11)22-17(21-14)23-7-5-18(6-8-23)13-4-2-1-3-12(13)16(24)25-18/h1-11,16H,12-15H2,(H,27,28);1-8,11,14-15H,9-10,12-13H2,(H,26,27);1-6,11H,7-10H2,(H,24,25);2-7,12H,8-11H2,1H3,(H,21,22);2-7,12H,8-11H2,1H3,(H,21,22);1-6,11H,7-10H2,(H,21,22);1-4,9H,5-8H2,(H,21,22,23);1-4,9-10H,5-8H2,(H,20,21,22).

What are the key properties of 1'-(6-benzoyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-bromo-7-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one?

1'-(6-benzoyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-bromo-7-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 3031.91 g/mol, XLogP of 30.34, 13 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(6-benzoyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-bromo-7-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 158712622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).