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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyrazin-2-yl-1H-benzimidazol-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

C164H144ClF3N28O21S — CID 161165713

IUPAC1'-(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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyrazin-2-yl-1H-benzimidazol-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
SMILESCC(=O)c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.CCCS(=O)(=O)c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.COC(=O)c1ccc2nc(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(c3nc4ccc(-c5cnccn5)cc4[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
InChIInChI=1S/C23H19N5O2.C22H23N3O4S.C21H19N3O4.C21H19N3O3.C20H16N4O2.C19H16ClN3O2.C19H15F3N4O2.C19H17N3O2/c29-21-16-3-1-2-4-17(16)23(30-21)7-11-28(12-8-23)22-26-18-6-5-15(13-19(18)27-22)20-14-24-9-10-25-20;1-2-13-30(27,28)15-7-8-18-19(14-15)24-21(23-18)25-11-9-22(10-12-25)17-6-4-3-5-16(17)20(26)29-22;1-27-18(25)13-6-7-16-17(12-13)23-20(22-16)24-10-8-21(9-11-24)15-5-3-2-4-14(15)19(26)28-21;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/h1-6,9-10,13-14H,7-8,11-12H2,(H,26,27);3-8,14H,2,9-13H2,1H3,(H,23,24);2-7,12H,8-11H2,1H3,(H,22,23);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)
InChIKeyUQMWFDKVEUNOLT-UHFFFAOYSA-N
MW2967.64 g/mol
LogP27.40
Rot. Bonds14

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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyrazin-2-yl-1H-benzimidazol-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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyrazin-2-yl-1H-benzimidazol-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 161165713) has the molecular formula C164H144ClF3N28O21S and a molecular weight of 2967.64 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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyrazin-2-yl-1H-benzimidazol-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 Name1'-(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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyrazin-2-yl-1H-benzimidazol-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 CID161165713
Molecular FormulaC164H144ClF3N28O21S
Molecular Weight2967.64 g/mol
Exact Mass2965.04
IUPAC Name1'-(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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyrazin-2-yl-1H-benzimidazol-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
SMILESCC(=O)c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.CCCS(=O)(=O)c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.COC(=O)c1ccc2nc(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(c3nc4ccc(-c5cnccn5)cc4[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
InChIInChI=1S/C23H19N5O2.C22H23N3O4S.C21H19N3O4.C21H19N3O3.C20H16N4O2.C19H16ClN3O2.C19H15F3N4O2.C19H17N3O2/c29-21-16-3-1-2-4-17(16)23(30-21)7-11-28(12-8-23)22-26-18-6-5-15(13-19(18)27-22)20-14-24-9-10-25-20;1-2-13-30(27,28)15-7-8-18-19(14-15)24-21(23-18)25-11-9-22(10-12-25)17-6-4-3-5-16(17)20(26)29-22;1-27-18(25)13-6-7-16-17(12-13)23-20(22-16)24-10-8-21(9-11-24)15-5-3-2-4-14(15)19(26)28-21;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/h1-6,9-10,13-14H,7-8,11-12H2,(H,26,27);3-8,14H,2,9-13H2,1H3,(H,23,24);2-7,12H,8-11H2,1H3,(H,22,23);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)
InChIKeyUQMWFDKVEUNOLT-UHFFFAOYSA-N
XLogP27.40
TPSA605.73 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds14
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002967.64
LogP ≤ 527.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze 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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyrazin-2-yl-1H-benzimidazol-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 with MolForge

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Launch Full Analysis

Related Compounds

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
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'-(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-benzimidazol-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 161147993
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'-(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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyrazin-2-yl-1H-benzimidazol-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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyrazin-2-yl-1H-benzimidazol-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 161165713) 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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyrazin-2-yl-1H-benzimidazol-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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyrazin-2-yl-1H-benzimidazol-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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyrazin-2-yl-1H-benzimidazol-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)c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.COC(=O)c1ccc2nc(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(c3nc4ccc(-c5cnccn5)cc4[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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyrazin-2-yl-1H-benzimidazol-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 UQMWFDKVEUNOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2.C22H23N3O4S.C21H19N3O4.C21H19N3O3.C20H16N4O2.C19H16ClN3O2.C19H15F3N4O2.C19H17N3O2/c29-21-16-3-1-2-4-17(16)23(30-21)7-11-28(12-8-23)22-26-18-6-5-15(13-19(18)27-22)20-14-24-9-10-25-20;1-2-13-30(27,28)15-7-8-18-19(14-15)24-21(23-18)25-11-9-22(10-12-25)17-6-4-3-5-16(17)20(26)29-22;1-27-18(25)13-6-7-16-17(12-13)23-20(22-16)24-10-8-21(9-11-24)15-5-3-2-4-14(15)19(26)28-21;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/h1-6,9-10,13-14H,7-8,11-12H2,(H,26,27);3-8,14H,2,9-13H2,1H3,(H,23,24);2-7,12H,8-11H2,1H3,(H,22,23);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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyrazin-2-yl-1H-benzimidazol-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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyrazin-2-yl-1H-benzimidazol-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 2967.64 g/mol, XLogP of 27.40, 14 rotatable bonds, 8 hydrogen bond donors, and 41 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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carbonitrile;1'-(6-propylsulfonyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyrazin-2-yl-1H-benzimidazol-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 161165713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).