1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2,3-dihydroisoindol-1-one;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrazine-2-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate

C194H208N22O20 — CID 160975851

IUPAC1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2,3-dihydroisoindol-1-one;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrazine-2-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate
SMILESCCOC(=O)CC1c2ccccc2CCN1CC(O)COc1cccc(-c2ccc3ncn(C)c3c2)c1.CN1CCN(c2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cn2)CC1.COc1cc2c(cc1OC)CN(CC(O)COc1cccc(-c3ccc4ncn(C)c4c3)c1)CC2.Cn1cnc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21.Cn1cnc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4Cc4ccccc4)c3)cc21.O=C(Nc1cccc(OCC(O)CN2CCc3ccccc3C2)c1)c1cnccn1.O=C1NCc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21
InChIInChI=1S/C33H33N3O2.C30H33N3O4.C28H34N4O2.C28H31N3O4.C26H27N3O2.C26H26N2O3.C23H24N4O3/c1-35-23-34-31-15-14-27(20-33(31)35)26-11-7-12-29(19-26)38-22-28(37)21-36-17-16-25-10-5-6-13-30(25)32(36)18-24-8-3-2-4-9-24;1-3-36-30(35)17-28-26-10-5-4-7-21(26)13-14-33(28)18-24(34)19-37-25-9-6-8-22(15-25)23-11-12-27-29(16-23)32(2)20-31-27;1-30-13-15-32(16-14-30)28-10-9-24(18-29-28)23-7-4-8-27(17-23)34-21-26(33)20-31-12-11-22-5-2-3-6-25(22)19-31;1-30-18-29-25-8-7-20(12-26(25)30)19-5-4-6-24(11-19)35-17-23(32)16-31-10-9-21-13-27(33-2)28(34-3)14-22(21)15-31;1-28-18-27-25-10-9-21(14-26(25)28)20-7-4-8-24(13-20)31-17-23(30)16-29-12-11-19-5-2-3-6-22(19)15-29;29-23(16-28-11-10-18-4-1-2-5-22(18)15-28)17-31-24-7-3-6-19(12-24)20-8-9-21-14-27-26(30)25(21)13-20;28-20(15-27-11-8-17-4-1-2-5-18(17)14-27)16-30-21-7-3-6-19(12-21)26-23(29)22-13-24-9-10-25-22/h2-15,19-20,23,28,32,37H,16-18,21-22H2,1H3;4-12,15-16,20,24,28,34H,3,13-14,17-19H2,1-2H3;2-10,17-18,26,33H,11-16,19-21H2,1H3;4-8,11-14,18,23,32H,9-10,15-17H2,1-3H3;2-10,13-14,18,23,30H,11-12,15-17H2,1H3;1-9,12-13,23,29H,10-11,14-17H2,(H,27,30);1-7,9-10,12-13,20,28H,8,11,14-16H2,(H,26,29)
InChIKeySYVVKJJHJJTYCT-UHFFFAOYSA-N
MW3167.93 g/mol
LogP27.67
Rot. Bonds51

About 1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2,3-dihydroisoindol-1-one;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrazine-2-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate

1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2,3-dihydroisoindol-1-one;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrazine-2-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate (PubChem CID 160975851) has the molecular formula C194H208N22O20 and a molecular weight of 3167.93 g/mol. Its IUPAC name is 1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2,3-dihydroisoindol-1-one;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrazine-2-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate.

Molecular Properties

Compound Name1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2,3-dihydroisoindol-1-one;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrazine-2-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate
PubChem CID160975851
Molecular FormulaC194H208N22O20
Molecular Weight3167.93 g/mol
Exact Mass3165.59
IUPAC Name1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2,3-dihydroisoindol-1-one;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrazine-2-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate
SMILESCCOC(=O)CC1c2ccccc2CCN1CC(O)COc1cccc(-c2ccc3ncn(C)c3c2)c1.CN1CCN(c2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cn2)CC1.COc1cc2c(cc1OC)CN(CC(O)COc1cccc(-c3ccc4ncn(C)c4c3)c1)CC2.Cn1cnc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21.Cn1cnc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4Cc4ccccc4)c3)cc21.O=C(Nc1cccc(OCC(O)CN2CCc3ccccc3C2)c1)c1cnccn1.O=C1NCc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21
InChIInChI=1S/C33H33N3O2.C30H33N3O4.C28H34N4O2.C28H31N3O4.C26H27N3O2.C26H26N2O3.C23H24N4O3/c1-35-23-34-31-15-14-27(20-33(31)35)26-11-7-12-29(19-26)38-22-28(37)21-36-17-16-25-10-5-6-13-30(25)32(36)18-24-8-3-2-4-9-24;1-3-36-30(35)17-28-26-10-5-4-7-21(26)13-14-33(28)18-24(34)19-37-25-9-6-8-22(15-25)23-11-12-27-29(16-23)32(2)20-31-27;1-30-13-15-32(16-14-30)28-10-9-24(18-29-28)23-7-4-8-27(17-23)34-21-26(33)20-31-12-11-22-5-2-3-6-25(22)19-31;1-30-18-29-25-8-7-20(12-26(25)30)19-5-4-6-24(11-19)35-17-23(32)16-31-10-9-21-13-27(33-2)28(34-3)14-22(21)15-31;1-28-18-27-25-10-9-21(14-26(25)28)20-7-4-8-24(13-20)31-17-23(30)16-29-12-11-19-5-2-3-6-22(19)15-29;29-23(16-28-11-10-18-4-1-2-5-22(18)15-28)17-31-24-7-3-6-19(12-24)20-8-9-21-14-27-26(30)25(21)13-20;28-20(15-27-11-8-17-4-1-2-5-18(17)14-27)16-30-21-7-3-6-19(12-21)26-23(29)22-13-24-9-10-25-22/h2-15,19-20,23,28,32,37H,16-18,21-22H2,1H3;4-12,15-16,20,24,28,34H,3,13-14,17-19H2,1-2H3;2-10,17-18,26,33H,11-16,19-21H2,1H3;4-8,11-14,18,23,32H,9-10,15-17H2,1-3H3;2-10,13-14,18,23,30H,11-12,15-17H2,1H3;1-9,12-13,23,29H,10-11,14-17H2,(H,27,30);1-7,9-10,12-13,20,28H,8,11,14-16H2,(H,26,29)
InChIKeySYVVKJJHJJTYCT-UHFFFAOYSA-N
XLogP27.67
TPSA448.29 Ų
H-Bond Donors9
H-Bond Acceptors40
Rotatable Bonds51
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003167.93
LogP ≤ 527.67
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1040

Analyze 1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2,3-dihydroisoindol-1-one;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrazine-2-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate with MolForge

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Related Compounds

(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methylimidazo[4,5-b]pyridin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 157750123
1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-[3-(3-methylbenzimidazol-5-yl)phenyl]acetamide;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol
CID 158977421
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
CID 159409798
1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-[3-(3-methylbenzimidazol-5-yl)phenyl]acetamide;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(oxetan-3-yl)benzimidazol-5-yl]phenoxy]propan-2-ol
CID 159793119
(4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(1,2-dimethylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1,2-dimethylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[3-methoxy-4-(trifluoromethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 159911479
8-(1,1-difluoroethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;4-(dimethylamino)-2-methylisoindole-1,3-dione;ethyl 9-ethyl-2-methyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate;5-methoxy-2,3-dimethyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indole;6-methoxy-3-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one;4-methyl-2-(2-methylphenyl)-6-piperazin-1-ylpyrimidine;24-methyl-5,18,20-trioxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2(10),3,8,14(22),15,17(21)-hexaen-12-ol;N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide;2-phenyl-2-(trifluoromethyl)-6,7-dihydro-3H-imidazo[2,1-b][1,3,5]oxadiazin-4-one
CID 160223828
(3R)-1-[(5R)-8-(difluoromethoxy)-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-fluoro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid
CID 167638633
1-[3-(1-benzofuran-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(5-methyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(1-methylindol-6-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol
CID 157083793
2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-[3-(3-methylbenzimidazol-5-yl)phenyl]acetamide;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylindolizin-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(oxetan-3-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(oxetan-3-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol
CID 157084256
CID 157126147
CID 157126147
[3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[3-[3-(cyclohexylmethoxy)phenyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;cyclohexyl-[4-[3-[2-methyl-6-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]piperazin-1-yl]methanone;[3-[hydroxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[2-methyl-3-(3-methylbenzoyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[2-methyl-3-[1-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;N-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)oxane-4-carboxamide
CID 157169588
Methyl 4-amino-1-(1,3-benzodioxol-5-ylmethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(diethylaminomethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 157272369

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2,3-dihydroisoindol-1-one;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrazine-2-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate?
The IUPAC name of 1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2,3-dihydroisoindol-1-one;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrazine-2-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate (CID 160975851) is 1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2,3-dihydroisoindol-1-one;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrazine-2-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate.
What is the SMILES notation for 1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2,3-dihydroisoindol-1-one;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrazine-2-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate?
The canonical SMILES for 1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2,3-dihydroisoindol-1-one;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrazine-2-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate is CCOC(=O)CC1c2ccccc2CCN1CC(O)COc1cccc(-c2ccc3ncn(C)c3c2)c1.CN1CCN(c2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cn2)CC1.COc1cc2c(cc1OC)CN(CC(O)COc1cccc(-c3ccc4ncn(C)c4c3)c1)CC2.Cn1cnc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21.Cn1cnc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4Cc4ccccc4)c3)cc21.O=C(Nc1cccc(OCC(O)CN2CCc3ccccc3C2)c1)c1cnccn1.O=C1NCc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21.
What is the InChIKey of 1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2,3-dihydroisoindol-1-one;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrazine-2-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate?
The InChIKey is SYVVKJJHJJTYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O2.C30H33N3O4.C28H34N4O2.C28H31N3O4.C26H27N3O2.C26H26N2O3.C23H24N4O3/c1-35-23-34-31-15-14-27(20-33(31)35)26-11-7-12-29(19-26)38-22-28(37)21-36-17-16-25-10-5-6-13-30(25)32(36)18-24-8-3-2-4-9-24;1-3-36-30(35)17-28-26-10-5-4-7-21(26)13-14-33(28)18-24(34)19-37-25-9-6-8-22(15-25)23-11-12-27-29(16-23)32(2)20-31-27;1-30-13-15-32(16-14-30)28-10-9-24(18-29-28)23-7-4-8-27(17-23)34-21-26(33)20-31-12-11-22-5-2-3-6-25(22)19-31;1-30-18-29-25-8-7-20(12-26(25)30)19-5-4-6-24(11-19)35-17-23(32)16-31-10-9-21-13-27(33-2)28(34-3)14-22(21)15-31;1-28-18-27-25-10-9-21(14-26(25)28)20-7-4-8-24(13-20)31-17-23(30)16-29-12-11-19-5-2-3-6-22(19)15-29;29-23(16-28-11-10-18-4-1-2-5-22(18)15-28)17-31-24-7-3-6-19(12-24)20-8-9-21-14-27-26(30)25(21)13-20;28-20(15-27-11-8-17-4-1-2-5-18(17)14-27)16-30-21-7-3-6-19(12-21)26-23(29)22-13-24-9-10-25-22/h2-15,19-20,23,28,32,37H,16-18,21-22H2,1H3;4-12,15-16,20,24,28,34H,3,13-14,17-19H2,1-2H3;2-10,17-18,26,33H,11-16,19-21H2,1H3;4-8,11-14,18,23,32H,9-10,15-17H2,1-3H3;2-10,13-14,18,23,30H,11-12,15-17H2,1H3;1-9,12-13,23,29H,10-11,14-17H2,(H,27,30);1-7,9-10,12-13,20,28H,8,11,14-16H2,(H,26,29).
What are the key properties of 1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2,3-dihydroisoindol-1-one;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrazine-2-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate?
1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2,3-dihydroisoindol-1-one;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrazine-2-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate has a molecular weight of 3167.93 g/mol, XLogP of 27.67, 51 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2,3-dihydroisoindol-1-one;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrazine-2-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate is sourced from PubChem (CID 160975851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).