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'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methylsulfonyl-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

C165H144Cl2F5N27O21S — CID 159267414

IUPAC1'-(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'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methylsulfonyl-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
SMILESCOc1cc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2cc1OC.CS(=O)(=O)c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.Cc1cc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2cc1C.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
InChIInChI=1S/C23H19N5O2.C22H18N4O3.C21H21N3O4.C21H21N3O2.C20H16F3N3O2.C20H19N3O4S.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;1-13-11-17-18(12-14(13)2)23-20(22-17)24-9-7-21(8-10-24)16-6-4-3-5-15(16)19(25)26-21;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;1-28(25,26)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)27-20;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);3-6,11-12H,7-10H2,1-2H3,(H,22,23);1-6,11H,7-10H2,(H,24,25);2-7,12H,8-11H2,1H3,(H,21,22);2*1-4,9-10H,5-8H2,(H,22,23)
InChIKeyKXGYVZQOYDWECK-UHFFFAOYSA-N
MW3039.10 g/mol
LogP29.59
Rot. Bonds13

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'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methylsulfonyl-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'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methylsulfonyl-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 159267414) has the molecular formula C165H144Cl2F5N27O21S and a molecular weight of 3039.10 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'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methylsulfonyl-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 Name1'-(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'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methylsulfonyl-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 CID159267414
Molecular FormulaC165H144Cl2F5N27O21S
Molecular Weight3039.10 g/mol
Exact Mass3036.00
IUPAC Name1'-(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'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methylsulfonyl-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
SMILESCOc1cc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2cc1OC.CS(=O)(=O)c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.Cc1cc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2cc1C.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
InChIInChI=1S/C23H19N5O2.C22H18N4O3.C21H21N3O4.C21H21N3O2.C20H16F3N3O2.C20H19N3O4S.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;1-13-11-17-18(12-14(13)2)23-20(22-17)24-9-7-21(8-10-24)16-6-4-3-5-15(16)19(25)26-21;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;1-28(25,26)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)27-20;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);3-6,11-12H,7-10H2,1-2H3,(H,22,23);1-6,11H,7-10H2,(H,24,25);2-7,12H,8-11H2,1H3,(H,21,22);2*1-4,9-10H,5-8H2,(H,22,23)
InChIKeyKXGYVZQOYDWECK-UHFFFAOYSA-N
XLogP29.59
TPSA570.17 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds13
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003039.10
LogP ≤ 529.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 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'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methylsulfonyl-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-(5-chloro-1H-imidazo[4,5-b]pyridin-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-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-ethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 158781755
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
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-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-fluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methylsulfonyl-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 160251322
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'-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 161587344
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'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-fluoro-1H-benzimidazol-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-methylsulfonyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 159018019

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'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methylsulfonyl-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'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methylsulfonyl-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 159267414) 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'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methylsulfonyl-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'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methylsulfonyl-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'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methylsulfonyl-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.CS(=O)(=O)c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.Cc1cc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2cc1C.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'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methylsulfonyl-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 KXGYVZQOYDWECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2.C22H18N4O3.C21H21N3O4.C21H21N3O2.C20H16F3N3O2.C20H19N3O4S.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;1-13-11-17-18(12-14(13)2)23-20(22-17)24-9-7-21(8-10-24)16-6-4-3-5-15(16)19(25)26-21;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;1-28(25,26)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)27-20;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);3-6,11-12H,7-10H2,1-2H3,(H,22,23);1-6,11H,7-10H2,(H,24,25);2-7,12H,8-11H2,1H3,(H,21,22);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'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methylsulfonyl-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'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methylsulfonyl-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 3039.10 g/mol, XLogP of 29.59, 13 rotatable bonds, 8 hydrogen bond donors, and 40 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'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methylsulfonyl-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 159267414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).