1'-(6-benzoyl-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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;1'-(6-pyrazin-2-yl-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

C134H114F3N21O16 — CID 160822321

IUPAC1'-(6-benzoyl-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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;1'-(6-pyrazin-2-yl-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
SMILESCOC(=O)c1ccc2nc(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(-c5cnccn5)cc4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C26H21N3O3.C24H20N4O2.C23H19N5O2.C21H19N3O4.C20H16F3N3O3.C20H19N3O2/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;29-21-16-3-1-2-4-17(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;1-27-18(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;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;1-13-6-7-16-17(12-13)22-19(21-16)23-10-8-20(9-11-23)15-5-3-2-4-14(15)18(24)25-20/h1-11,16H,12-15H2,(H,27,28);1-8,11,14-15H,9-10,12-13H2,(H,26,27);1-6,9-10,13-14H,7-8,11-12H2,(H,26,27);2-7,12H,8-11H2,1H3,(H,22,23);1-6,11H,7-10H2,(H,24,25);2-7,12H,8-11H2,1H3,(H,21,22)
InChIKeySFSAPRCLAFGDMV-UHFFFAOYSA-N
MW2331.51 g/mol
LogP23.12
Rot. Bonds12

About 1'-(6-benzoyl-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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;1'-(6-pyrazin-2-yl-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-methyl-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;1'-(6-pyrazin-2-yl-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 160822321) has the molecular formula C134H114F3N21O16 and a molecular weight of 2331.51 g/mol. Its IUPAC name is 1'-(6-benzoyl-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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;1'-(6-pyrazin-2-yl-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 Name1'-(6-benzoyl-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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;1'-(6-pyrazin-2-yl-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 CID160822321
Molecular FormulaC134H114F3N21O16
Molecular Weight2331.51 g/mol
Exact Mass2329.87
IUPAC Name1'-(6-benzoyl-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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;1'-(6-pyrazin-2-yl-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
SMILESCOC(=O)c1ccc2nc(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(-c5cnccn5)cc4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C26H21N3O3.C24H20N4O2.C23H19N5O2.C21H19N3O4.C20H16F3N3O3.C20H19N3O2/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;29-21-16-3-1-2-4-17(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;1-27-18(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;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;1-13-6-7-16-17(12-13)22-19(21-16)23-10-8-20(9-11-23)15-5-3-2-4-14(15)18(24)25-20/h1-11,16H,12-15H2,(H,27,28);1-8,11,14-15H,9-10,12-13H2,(H,26,27);1-6,9-10,13-14H,7-8,11-12H2,(H,26,27);2-7,12H,8-11H2,1H3,(H,22,23);1-6,11H,7-10H2,(H,24,25);2-7,12H,8-11H2,1H3,(H,21,22)
InChIKeySFSAPRCLAFGDMV-UHFFFAOYSA-N
XLogP23.12
TPSA440.59 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds12
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002331.51
LogP ≤ 523.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

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

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Related Compounds

[2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone
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methyl 2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridin-2-yl]-3H-benzimidazole-5-carboxylate
CID 22041338
[2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridin-2-yl]-1H-benzimidazol-5-yl]-phenylmethanone
CID 135787033
5-(3-cyclopentylimidazo[1,5-a]pyridin-8-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;N-[3-(1,1-difluoroethoxy)phenyl]-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(2,3,4,6-tetradeuterio-5-methylphenyl)pyridine-3-carboxamide;2-methyl-N-(4-methylphenyl)-5-[3-(oxan-4-yl)imidazo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide
CID 157838085
2-[[4-(cyclopropylmethoxy)-3-methoxy-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;methyl 2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-6-methyl-1H-benzimidazole-5-carboxylate;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 158176686
N-(5-acetyl-1-methylbenzimidazol-2-yl)imidazole-1-carbothioamide;1-(2-amino-1-methylbenzimidazol-5-yl)ethanone;4-methylbenzene-1,2-diamine;5-methyl-2-nitroaniline;1-methyl-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-methyl-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazol-5-yl]ethanone;1-[1-methyl-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one
CID 158314521
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
4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-fluorobenzamide;4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethyl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(dimethylamino)pyridine-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide
CID 158804014
Methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(fluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(methoxymethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[4-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-5-yl]-2,6-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,6-difluoro-4-(2-phenylmethoxy-3-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 159099869
3-(3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ylamino)-N-methylbenzamide;N-methyl-3-[methyl-[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide
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1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile
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4-[[6-amino-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]benzonitrile;5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-4-N-(3-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(2-methylbenzimidazol-1-yl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine;methyl 4-[[6-amino-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]benzoate
CID 159611427

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-methyl-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;1'-(6-pyrazin-2-yl-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-methyl-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;1'-(6-pyrazin-2-yl-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 160822321) is 1'-(6-benzoyl-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;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;1'-(6-pyrazin-2-yl-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-methyl-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;1'-(6-pyrazin-2-yl-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-methyl-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;1'-(6-pyrazin-2-yl-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 COC(=O)c1ccc2nc(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(-c5cnccn5)cc4[nH]3)CC2)c2ccccc21.O=C1OC2(CCN(c3nc4ccc(OC(F)(F)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-methyl-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;1'-(6-pyrazin-2-yl-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 SFSAPRCLAFGDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3.C24H20N4O2.C23H19N5O2.C21H19N3O4.C20H16F3N3O3.C20H19N3O2/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;29-21-16-3-1-2-4-17(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;1-27-18(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;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;1-13-6-7-16-17(12-13)22-19(21-16)23-10-8-20(9-11-23)15-5-3-2-4-14(15)18(24)25-20/h1-11,16H,12-15H2,(H,27,28);1-8,11,14-15H,9-10,12-13H2,(H,26,27);1-6,9-10,13-14H,7-8,11-12H2,(H,26,27);2-7,12H,8-11H2,1H3,(H,22,23);1-6,11H,7-10H2,(H,24,25);2-7,12H,8-11H2,1H3,(H,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-methyl-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;1'-(6-pyrazin-2-yl-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-methyl-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;1'-(6-pyrazin-2-yl-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 2331.51 g/mol, XLogP of 23.12, 12 rotatable bonds, 6 hydrogen bond donors, and 31 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-methyl-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;1'-(6-pyrazin-2-yl-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 160822321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).