4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1-benzofuran-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-2-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)-3H-isoindol-1-one;hydrochloride

C160H144ClN21O23S — CID 157099246

IUPAC4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1-benzofuran-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-2-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)-3H-isoindol-1-one;hydrochloride
SMILESC=C1CCC(N2Cc3c(OCc4ccc5c(c4)CNC5)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc5ccccc5n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc5occc5c4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc5ocnc5c4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4cnc5ccccc5c4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4nc5ccccc5[nH]4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4nc5ccccc5s4)cccc3C2=O)C(=O)N1.Cl
InChIInChI=1S/2C24H21N3O3.C23H23N3O3.C23H20N2O4.C22H20N4O3.C22H19N3O4.C22H19N3O3S.ClH/c1-15-9-12-21(23(28)25-15)27-13-19-18(24(27)29)6-4-8-22(19)30-14-17-11-10-16-5-2-3-7-20(16)26-17;1-15-9-10-21(23(28)26-15)27-13-19-18(24(27)29)6-4-8-22(19)30-14-16-11-17-5-2-3-7-20(17)25-12-16;1-14-5-8-20(22(27)25-14)26-12-19-18(23(26)28)3-2-4-21(19)29-13-15-6-7-16-10-24-11-17(16)9-15;1-14-5-7-19(22(26)24-14)25-12-18-17(23(25)27)3-2-4-21(18)29-13-15-6-8-20-16(11-15)9-10-28-20;1-13-9-10-18(21(27)23-13)26-11-15-14(22(26)28)5-4-8-19(15)29-12-20-24-16-6-2-3-7-17(16)25-20;1-13-5-7-18(21(26)24-13)25-10-16-15(22(25)27)3-2-4-19(16)28-11-14-6-8-20-17(9-14)23-12-29-20;1-13-9-10-17(21(26)23-13)25-11-15-14(22(25)27)5-4-7-18(15)28-12-20-24-16-6-2-3-8-19(16)29-20;/h2-8,10-11,21H,1,9,12-14H2,(H,25,28);2-8,11-12,21H,1,9-10,13-14H2,(H,26,28);2-4,6-7,9,20,24H,1,5,8,10-13H2,(H,25,27);2-4,6,8-11,19H,1,5,7,12-13H2,(H,24,26);2-8,18H,1,9-12H2,(H,23,27)(H,24,25);2-4,6,8-9,12,18H,1,5,7,10-11H2,(H,24,26);2-8,17H,1,9-12H2,(H,23,26);1H
InChIKeyZLSCACGRTDYHLO-UHFFFAOYSA-N
MW2796.56 g/mol
LogP23.59
Rot. Bonds28

About 4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1-benzofuran-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-2-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)-3H-isoindol-1-one;hydrochloride

4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1-benzofuran-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-2-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)-3H-isoindol-1-one;hydrochloride (PubChem CID 157099246) has the molecular formula C160H144ClN21O23S and a molecular weight of 2796.56 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1-benzofuran-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-2-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)-3H-isoindol-1-one;hydrochloride.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1-benzofuran-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-2-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)-3H-isoindol-1-one;hydrochloride
PubChem CID157099246
Molecular FormulaC160H144ClN21O23S
Molecular Weight2796.56 g/mol
Exact Mass2794.02
IUPAC Name4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1-benzofuran-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-2-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)-3H-isoindol-1-one;hydrochloride
SMILESC=C1CCC(N2Cc3c(OCc4ccc5c(c4)CNC5)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc5ccccc5n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc5occc5c4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc5ocnc5c4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4cnc5ccccc5c4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4nc5ccccc5[nH]4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4nc5ccccc5s4)cccc3C2=O)C(=O)N1.Cl
InChIInChI=1S/2C24H21N3O3.C23H23N3O3.C23H20N2O4.C22H20N4O3.C22H19N3O4.C22H19N3O3S.ClH/c1-15-9-12-21(23(28)25-15)27-13-19-18(24(27)29)6-4-8-22(19)30-14-17-11-10-16-5-2-3-7-20(16)26-17;1-15-9-10-21(23(28)26-15)27-13-19-18(24(27)29)6-4-8-22(19)30-14-16-11-17-5-2-3-7-20(17)25-12-16;1-14-5-8-20(22(27)25-14)26-12-19-18(23(26)28)3-2-4-21(19)29-13-15-6-7-16-10-24-11-17(16)9-15;1-14-5-7-19(22(26)24-14)25-12-18-17(23(25)27)3-2-4-21(18)29-13-15-6-8-20-16(11-15)9-10-28-20;1-13-9-10-18(21(27)23-13)26-11-15-14(22(26)28)5-4-8-19(15)29-12-20-24-16-6-2-3-7-17(16)25-20;1-13-5-7-18(21(26)24-13)25-10-16-15(22(25)27)3-2-4-19(16)28-11-14-6-8-20-17(9-14)23-12-29-20;1-13-9-10-17(21(26)23-13)25-11-15-14(22(25)27)5-4-7-18(15)28-12-20-24-16-6-2-3-8-19(16)29-20;/h2-8,10-11,21H,1,9,12-14H2,(H,25,28);2-8,11-12,21H,1,9-10,13-14H2,(H,26,28);2-4,6-7,9,20,24H,1,5,8,10-13H2,(H,25,27);2-4,6,8-11,19H,1,5,7,12-13H2,(H,24,26);2-8,18H,1,9-12H2,(H,23,27)(H,24,25);2-4,6,8-9,12,18H,1,5,7,10-11H2,(H,24,26);2-8,17H,1,9-12H2,(H,23,26);1H
InChIKeyZLSCACGRTDYHLO-UHFFFAOYSA-N
XLogP23.59
TPSA529.03 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds28
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002796.56
LogP ≤ 523.59
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze 4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1-benzofuran-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-2-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)-3H-isoindol-1-one;hydrochloride with MolForge

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Related Compounds

1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;2-ethyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;N-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-1,7-naphthyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 160863111
N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 160944258
1-cyclopentyl-3-propan-2-ylbenzene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
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CID 167594024
CID 167594024
2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole
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3-[1-[1-[2-[2-[2-[4-(3-hydroxy-2-pyridinyl)-1H-imidazol-5-yl]thiophen-3-yl]furan-3-yl]-3-pyridinyl]piperazin-2-yl]piperidin-2-yl]-4-[3-[4-(1,3-thiazol-2-yl)-1,3-oxazol-2-yl]isoquinolin-1-yl]-1H-quinolin-2-one
CID 135984016
5-[17-([1]Benzothiolo[2,3-a]carbazol-12-yl)-4-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-10-yl]-12-[17-phenyl-11-[11-phenyl-12-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[2,3-a]carbazol-5-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]-[1]benzofuro[2,3-a]carbazole
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CID 140983497

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1-benzofuran-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-2-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)-3H-isoindol-1-one;hydrochloride?
The IUPAC name of 4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1-benzofuran-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-2-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)-3H-isoindol-1-one;hydrochloride (CID 157099246) is 4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1-benzofuran-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-2-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)-3H-isoindol-1-one;hydrochloride.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1-benzofuran-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-2-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)-3H-isoindol-1-one;hydrochloride?
The canonical SMILES for 4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1-benzofuran-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-2-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)-3H-isoindol-1-one;hydrochloride is C=C1CCC(N2Cc3c(OCc4ccc5c(c4)CNC5)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc5ccccc5n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc5occc5c4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc5ocnc5c4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4cnc5ccccc5c4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4nc5ccccc5[nH]4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4nc5ccccc5s4)cccc3C2=O)C(=O)N1.Cl.
What is the InChIKey of 4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1-benzofuran-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-2-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)-3H-isoindol-1-one;hydrochloride?
The InChIKey is ZLSCACGRTDYHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H21N3O3.C23H23N3O3.C23H20N2O4.C22H20N4O3.C22H19N3O4.C22H19N3O3S.ClH/c1-15-9-12-21(23(28)25-15)27-13-19-18(24(27)29)6-4-8-22(19)30-14-17-11-10-16-5-2-3-7-20(16)26-17;1-15-9-10-21(23(28)26-15)27-13-19-18(24(27)29)6-4-8-22(19)30-14-16-11-17-5-2-3-7-20(17)25-12-16;1-14-5-8-20(22(27)25-14)26-12-19-18(23(26)28)3-2-4-21(19)29-13-15-6-7-16-10-24-11-17(16)9-15;1-14-5-7-19(22(26)24-14)25-12-18-17(23(25)27)3-2-4-21(18)29-13-15-6-8-20-16(11-15)9-10-28-20;1-13-9-10-18(21(27)23-13)26-11-15-14(22(26)28)5-4-8-19(15)29-12-20-24-16-6-2-3-7-17(16)25-20;1-13-5-7-18(21(26)24-13)25-10-16-15(22(25)27)3-2-4-19(16)28-11-14-6-8-20-17(9-14)23-12-29-20;1-13-9-10-17(21(26)23-13)25-11-15-14(22(25)27)5-4-7-18(15)28-12-20-24-16-6-2-3-8-19(16)29-20;/h2-8,10-11,21H,1,9,12-14H2,(H,25,28);2-8,11-12,21H,1,9-10,13-14H2,(H,26,28);2-4,6-7,9,20,24H,1,5,8,10-13H2,(H,25,27);2-4,6,8-11,19H,1,5,7,12-13H2,(H,24,26);2-8,18H,1,9-12H2,(H,23,27)(H,24,25);2-4,6,8-9,12,18H,1,5,7,10-11H2,(H,24,26);2-8,17H,1,9-12H2,(H,23,26);1H.
What are the key properties of 4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1-benzofuran-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-2-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)-3H-isoindol-1-one;hydrochloride?
4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1-benzofuran-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-2-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)-3H-isoindol-1-one;hydrochloride has a molecular weight of 2796.56 g/mol, XLogP of 23.59, 28 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1-benzofuran-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-2-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)-3H-isoindol-1-one;hydrochloride is sourced from PubChem (CID 157099246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).