1'-(4,6-dichloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-difluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-dimethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(1,3-oxazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5-phenyl-3H-imidazo[4,5-b]pyrazin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one

C124H104Cl2F5N21O15 — CID 159255030

About 1'-(4,6-dichloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-difluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-dimethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(1,3-oxazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5-phenyl-3H-imidazo[4,5-b]pyrazin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one

1'-(4,6-dichloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-difluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-dimethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(1,3-oxazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5-phenyl-3H-imidazo[4,5-b]pyrazin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 159255030) has the molecular formula C124H104Cl2F5N21O15 and a molecular weight of 2294.22 g/mol. Its IUPAC name is 1'-(4,6-dichloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-difluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-dimethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(1,3-oxazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5-phenyl-3H-imidazo[4,5-b]pyrazin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

• Compound Name: 1'-(4,6-dichloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-difluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-dimethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(1,3-oxazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5-phenyl-3H-imidazo[4,5-b]pyrazin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one
• PubChem CID: 159255030
• Molecular Formula: C124H104Cl2F5N21O15
• Molecular Weight: 2294.22 g/mol
• Exact Mass: 2291.73
• IUPAC Name: 1'-(4,6-dichloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-difluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-dimethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(1,3-oxazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5-phenyl-3H-imidazo[4,5-b]pyrazin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one
• SMILES: COc1cc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2cc1OC.O=C1OC2(CCN(c3nc4c(Cl)cc(Cl)cc4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4cc(F)c(F)cc4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4ccc(-c5ncco5)cc4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4ncc(-c5ccccc5)nc4[nH]3)CC2)c2ccccc21
• InChI: InChI=1S/C23H19N5O2.C22H18N4O3.C21H21N3O4.C20H16F3N3O2.C19H15Cl2N3O2.C19H15F2N3O2/c29-21-16-8-4-5-9-17(16)23(30-21)10-12-28(13-11-23)22-26-19-20(27-22)25-18(14-24-19)15-6-2-1-3-7-15;27-20-15-3-1-2-4-16(15)22(29-20)7-10-26(11-8-22)21-24-17-6-5-14(13-18(17)25-21)19-23-9-12-28-19;1-26-17-11-15-16(12-18(17)27-2)23-20(22-15)24-9-7-21(8-10-24)14-6-4-3-5-13(14)19(25)28-21;21-20(22,23)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)28-19;20-11-9-14(21)16-15(10-11)22-18(23-16)24-7-5-19(6-8-24)13-4-2-1-3-12(13)17(25)26-19;20-13-9-15-16(10-14(13)21)23-18(22-15)24-7-5-19(6-8-24)12-4-2-1-3-11(12)17(25)26-19/h1-9,14H,10-13H2,(H,24,25,26,27);1-6,9,12-13H,7-8,10-11H2,(H,24,25);3-6,11-12H,7-10H2,1-2H3,(H,22,23);1-6,11H,7-10H2,(H,24,25);2*1-4,9-10H,5-8H2,(H,22,23)
• InChIKey: KVUAVBMKCGHWLB-UHFFFAOYSA-N
• XLogP: 23.11
• TPSA: 419.59 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2294.22
LogP ≤ 5	23.11
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'-(4,6-dichloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-difluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-dimethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(1,3-oxazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5-phenyl-3H-imidazo[4,5-b]pyrazin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one?

The IUPAC name of 1'-(4,6-dichloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-difluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-dimethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(1,3-oxazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5-phenyl-3H-imidazo[4,5-b]pyrazin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 159255030) is 1'-(4,6-dichloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-difluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-dimethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(1,3-oxazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5-phenyl-3H-imidazo[4,5-b]pyrazin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one.

What is the SMILES notation for 1'-(4,6-dichloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-difluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-dimethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(1,3-oxazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5-phenyl-3H-imidazo[4,5-b]pyrazin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one?

The canonical SMILES for 1'-(4,6-dichloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-difluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-dimethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(1,3-oxazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5-phenyl-3H-imidazo[4,5-b]pyrazin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one is COc1cc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2cc1OC.O=C1OC2(CCN(c3nc4c(Cl)cc(Cl)cc4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4cc(F)c(F)cc4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4ccc(-c5ncco5)cc4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4ncc(-c5ccccc5)nc4[nH]3)CC2)c2ccccc21.

What is the InChIKey of 1'-(4,6-dichloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-difluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-dimethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(1,3-oxazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5-phenyl-3H-imidazo[4,5-b]pyrazin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one?

The InChIKey is KVUAVBMKCGHWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2.C22H18N4O3.C21H21N3O4.C20H16F3N3O2.C19H15Cl2N3O2.C19H15F2N3O2/c29-21-16-8-4-5-9-17(16)23(30-21)10-12-28(13-11-23)22-26-19-20(27-22)25-18(14-24-19)15-6-2-1-3-7-15;27-20-15-3-1-2-4-16(15)22(29-20)7-10-26(11-8-22)21-24-17-6-5-14(13-18(17)25-21)19-23-9-12-28-19;1-26-17-11-15-16(12-18(17)27-2)23-20(22-15)24-9-7-21(8-10-24)14-6-4-3-5-13(14)19(25)28-21;21-20(22,23)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)28-19;20-11-9-14(21)16-15(10-11)22-18(23-16)24-7-5-19(6-8-24)13-4-2-1-3-12(13)17(25)26-19;20-13-9-15-16(10-14(13)21)23-18(22-15)24-7-5-19(6-8-24)12-4-2-1-3-11(12)17(25)26-19/h1-9,14H,10-13H2,(H,24,25,26,27);1-6,9,12-13H,7-8,10-11H2,(H,24,25);3-6,11-12H,7-10H2,1-2H3,(H,22,23);1-6,11H,7-10H2,(H,24,25);2*1-4,9-10H,5-8H2,(H,22,23).

What are the key properties of 1'-(4,6-dichloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-difluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-dimethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(1,3-oxazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5-phenyl-3H-imidazo[4,5-b]pyrazin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one?

1'-(4,6-dichloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-difluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-dimethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(1,3-oxazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5-phenyl-3H-imidazo[4,5-b]pyrazin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 2294.22 g/mol, XLogP of 23.11, 10 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(4,6-dichloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-difluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-dimethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(1,3-oxazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5-phenyl-3H-imidazo[4,5-b]pyrazin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 159255030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).