5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxamide;5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxylic acid;2-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]propan-2-ol;2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(hydroxymethyl)-1-adamantyl]ethanol;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxamide;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxylic acid;2-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]propan-2-ol;1-[4-(hydroxymethyl)-1-adamantyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol

C188H222F4N18O18 — CID 158783328

IUPAC5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxamide;5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxylic acid;2-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]propan-2-ol;2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(hydroxymethyl)-1-adamantyl]ethanol;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxamide;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxylic acid;2-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]propan-2-ol;1-[4-(hydroxymethyl)-1-adamantyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESCC(C)(O)C1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.CC(C)(O)C1C2CC3CC1CC(C(O)CC1c4ccccc4-c4cncn41)(C3)C2.NC(=O)C1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.NC(=O)C1C2CC3CC1CC(C(O)CC1c4ccccc4-c4cncn41)(C3)C2.O=C(O)C1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.O=C(O)C1C2CC3CC1CC(C(O)CC1c4ccccc4-c4cncn41)(C3)C2.OCC1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.OCC1C2CC3CC1CC(C(O)CC1c4ccccc4-c4cncn41)(C3)C2
InChIInChI=1S/C25H31FN2O2.C25H32N2O2.C23H26FN3O2.C23H25FN2O3.C23H27FN2O2.C23H27N3O2.C23H26N2O3.C23H28N2O2/c1-24(2,30)23-15-6-14-7-16(23)11-25(9-14,10-15)21(29)8-19-22-17(4-3-5-18(22)26)20-12-27-13-28(19)20;1-24(2,29)23-16-7-15-8-17(23)12-25(10-15,11-16)22(28)9-20-18-5-3-4-6-19(18)21-13-26-14-27(20)21;24-16-3-1-2-15-18-10-26-11-27(18)17(21(15)16)6-19(28)23-7-12-4-13(8-23)20(22(25)29)14(5-12)9-23;24-16-3-1-2-15-18-10-25-11-26(18)17(21(15)16)6-19(27)23-7-12-4-13(8-23)20(22(28)29)14(5-12)9-23;24-18-3-1-2-16-20-10-25-12-26(20)19(22(16)18)6-21(28)23-7-13-4-14(8-23)17(11-27)15(5-13)9-23;24-22(28)21-14-5-13-6-15(21)10-23(8-13,9-14)20(27)7-18-16-3-1-2-4-17(16)19-11-25-12-26(18)19;26-20(7-18-16-3-1-2-4-17(16)19-11-24-12-25(18)19)23-8-13-5-14(9-23)21(22(27)28)15(6-13)10-23;26-12-19-15-5-14-6-16(19)10-23(8-14,9-15)22(27)7-20-17-3-1-2-4-18(17)21-11-24-13-25(20)21/h3-5,12-16,19,21,23,29-30H,6-11H2,1-2H3;3-6,13-17,20,22-23,28-29H,7-12H2,1-2H3;1-3,10-14,17,19-20,28H,4-9H2,(H2,25,29);1-3,10-14,17,19-20,27H,4-9H2,(H,28,29);1-3,10,12-15,17,19,21,27-28H,4-9,11H2;1-4,11-15,18,20-21,27H,5-10H2,(H2,24,28);1-4,11-15,18,20-21,26H,5-10H2,(H,27,28);1-4,11,13-16,19-20,22,26-27H,5-10,12H2
InChIKeyIRIZYRVZKXBIFK-UHFFFAOYSA-N
MW3097.94 g/mol
LogP30.39
Rot. Bonds32

About 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxamide;5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxylic acid;2-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]propan-2-ol;2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(hydroxymethyl)-1-adamantyl]ethanol;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxamide;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxylic acid;2-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]propan-2-ol;1-[4-(hydroxymethyl)-1-adamantyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol

5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxamide;5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxylic acid;2-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]propan-2-ol;2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(hydroxymethyl)-1-adamantyl]ethanol;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxamide;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxylic acid;2-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]propan-2-ol;1-[4-(hydroxymethyl)-1-adamantyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol (PubChem CID 158783328) has the molecular formula C188H222F4N18O18 and a molecular weight of 3097.94 g/mol. Its IUPAC name is 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxamide;5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxylic acid;2-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]propan-2-ol;2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(hydroxymethyl)-1-adamantyl]ethanol;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxamide;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxylic acid;2-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]propan-2-ol;1-[4-(hydroxymethyl)-1-adamantyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol.

Molecular Properties

Compound Name5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxamide;5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxylic acid;2-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]propan-2-ol;2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(hydroxymethyl)-1-adamantyl]ethanol;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxamide;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxylic acid;2-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]propan-2-ol;1-[4-(hydroxymethyl)-1-adamantyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
PubChem CID158783328
Molecular FormulaC188H222F4N18O18
Molecular Weight3097.94 g/mol
Exact Mass3095.69
IUPAC Name5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxamide;5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxylic acid;2-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]propan-2-ol;2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(hydroxymethyl)-1-adamantyl]ethanol;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxamide;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxylic acid;2-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]propan-2-ol;1-[4-(hydroxymethyl)-1-adamantyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESCC(C)(O)C1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.CC(C)(O)C1C2CC3CC1CC(C(O)CC1c4ccccc4-c4cncn41)(C3)C2.NC(=O)C1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.NC(=O)C1C2CC3CC1CC(C(O)CC1c4ccccc4-c4cncn41)(C3)C2.O=C(O)C1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.O=C(O)C1C2CC3CC1CC(C(O)CC1c4ccccc4-c4cncn41)(C3)C2.OCC1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.OCC1C2CC3CC1CC(C(O)CC1c4ccccc4-c4cncn41)(C3)C2
InChIInChI=1S/C25H31FN2O2.C25H32N2O2.C23H26FN3O2.C23H25FN2O3.C23H27FN2O2.C23H27N3O2.C23H26N2O3.C23H28N2O2/c1-24(2,30)23-15-6-14-7-16(23)11-25(9-14,10-15)21(29)8-19-22-17(4-3-5-18(22)26)20-12-27-13-28(19)20;1-24(2,29)23-16-7-15-8-17(23)12-25(10-15,11-16)22(28)9-20-18-5-3-4-6-19(18)21-13-26-14-27(20)21;24-16-3-1-2-15-18-10-26-11-27(18)17(21(15)16)6-19(28)23-7-12-4-13(8-23)20(22(25)29)14(5-12)9-23;24-16-3-1-2-15-18-10-25-11-26(18)17(21(15)16)6-19(27)23-7-12-4-13(8-23)20(22(28)29)14(5-12)9-23;24-18-3-1-2-16-20-10-25-12-26(20)19(22(16)18)6-21(28)23-7-13-4-14(8-23)17(11-27)15(5-13)9-23;24-22(28)21-14-5-13-6-15(21)10-23(8-13,9-14)20(27)7-18-16-3-1-2-4-17(16)19-11-25-12-26(18)19;26-20(7-18-16-3-1-2-4-17(16)19-11-24-12-25(18)19)23-8-13-5-14(9-23)21(22(27)28)15(6-13)10-23;26-12-19-15-5-14-6-16(19)10-23(8-14,9-15)22(27)7-20-17-3-1-2-4-18(17)21-11-24-13-25(20)21/h3-5,12-16,19,21,23,29-30H,6-11H2,1-2H3;3-6,13-17,20,22-23,28-29H,7-12H2,1-2H3;1-3,10-14,17,19-20,28H,4-9H2,(H2,25,29);1-3,10-14,17,19-20,27H,4-9H2,(H,28,29);1-3,10,12-15,17,19,21,27-28H,4-9,11H2;1-4,11-15,18,20-21,27H,5-10H2,(H2,24,28);1-4,11-15,18,20-21,26H,5-10H2,(H,27,28);1-4,11,13-16,19-20,22,26-27H,5-10,12H2
InChIKeyIRIZYRVZKXBIFK-UHFFFAOYSA-N
XLogP30.39
TPSA546.10 Ų
H-Bond Donors16
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003097.94
LogP ≤ 530.39
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1032

Analyze 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxamide;5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxylic acid;2-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]propan-2-ol;2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(hydroxymethyl)-1-adamantyl]ethanol;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxamide;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxylic acid;2-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]propan-2-ol;1-[4-(hydroxymethyl)-1-adamantyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol with MolForge

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Related Compounds

1,2-bis[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]ethane-1,2-diol
CID 118938900
5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxylic acid
CID 122499139
N-[[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]methyl]-2-phenylacetamide
CID 122499198
2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-[1-[3-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethenyl]cyclohexyl]propan-2-ylidene]cyclohexyl]ethanol
CID 123863433
trans-(1R,2S)-5-[(5R)-8-fluoro-5-[(1R,2S)-2-hydroxycyclohexyl]-5H-imidazo[5,1-a]isoindol-9-yl]-2-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol
CID 129296681
5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxamide
CID 134195206
2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-[1-[3-[(E)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethenyl]cyclohexyl]propan-2-ylidene]cyclohexyl]ethanol
CID 144460107
lithium;butane;(4-cyanocyclohexyl) trifluoromethanesulfonate;4-hydroxycyclohexane-1-carbonitrile;4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carbonitrile;4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carboxamide;bis(4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexane-1-carboxamide);bis(4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexane-1-carboxamide)
CID 157285222
1-cyclohexyl-2-(6,7-dihydro-5H-imidazo[5,1-a][2]benzazepin-5-yl)ethanol;1-cyclohexyl-2-(5,6-dihydroimidazo[5,1-a]isoquinolin-5-yl)ethanol;bis(1-cyclohexyl-2-[5-(trifluoromethyl)imidazo[1,5-b]isoindol-5-yl]ethanol);bis(4-[2-[6-fluoro-5-(trifluoromethyl)imidazo[1,5-b]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol)
CID 157290860
bis(6-chloro-5-[2-(6-fluorospiro[2.5]octan-6-yl)ethyl]-5H-imidazo[5,1-a]isoindole);tris(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexane-1-carboxamide);2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)-1-(1,4,4-trifluorocyclohexyl)ethanol
CID 157296258
4-[2,2-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]bicyclo[2.2.2]octan-1-ol;4-[2,2-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol;3-[2-(5-fluoro-4H-imidazo[1,5-a]indol-4-yl)-1-hydroxyethyl]adamantan-1-ol;4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantan-1-ol;5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantan-2-ol;4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]bicyclo[2.2.2]octan-1-ol
CID 157645048
3,3-difluoro-1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]butan-1-one;1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 157861705

Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxamide;5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxylic acid;2-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]propan-2-ol;2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(hydroxymethyl)-1-adamantyl]ethanol;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxamide;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxylic acid;2-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]propan-2-ol;1-[4-(hydroxymethyl)-1-adamantyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The IUPAC name of 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxamide;5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxylic acid;2-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]propan-2-ol;2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(hydroxymethyl)-1-adamantyl]ethanol;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxamide;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxylic acid;2-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]propan-2-ol;1-[4-(hydroxymethyl)-1-adamantyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol (CID 158783328) is 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxamide;5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxylic acid;2-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]propan-2-ol;2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(hydroxymethyl)-1-adamantyl]ethanol;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxamide;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxylic acid;2-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]propan-2-ol;1-[4-(hydroxymethyl)-1-adamantyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol.
What is the SMILES notation for 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxamide;5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxylic acid;2-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]propan-2-ol;2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(hydroxymethyl)-1-adamantyl]ethanol;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxamide;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxylic acid;2-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]propan-2-ol;1-[4-(hydroxymethyl)-1-adamantyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The canonical SMILES for 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxamide;5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxylic acid;2-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]propan-2-ol;2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(hydroxymethyl)-1-adamantyl]ethanol;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxamide;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxylic acid;2-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]propan-2-ol;1-[4-(hydroxymethyl)-1-adamantyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol is CC(C)(O)C1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.CC(C)(O)C1C2CC3CC1CC(C(O)CC1c4ccccc4-c4cncn41)(C3)C2.NC(=O)C1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.NC(=O)C1C2CC3CC1CC(C(O)CC1c4ccccc4-c4cncn41)(C3)C2.O=C(O)C1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.O=C(O)C1C2CC3CC1CC(C(O)CC1c4ccccc4-c4cncn41)(C3)C2.OCC1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.OCC1C2CC3CC1CC(C(O)CC1c4ccccc4-c4cncn41)(C3)C2.
What is the InChIKey of 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxamide;5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxylic acid;2-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]propan-2-ol;2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(hydroxymethyl)-1-adamantyl]ethanol;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxamide;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxylic acid;2-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]propan-2-ol;1-[4-(hydroxymethyl)-1-adamantyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The InChIKey is IRIZYRVZKXBIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2.C25H32N2O2.C23H26FN3O2.C23H25FN2O3.C23H27FN2O2.C23H27N3O2.C23H26N2O3.C23H28N2O2/c1-24(2,30)23-15-6-14-7-16(23)11-25(9-14,10-15)21(29)8-19-22-17(4-3-5-18(22)26)20-12-27-13-28(19)20;1-24(2,29)23-16-7-15-8-17(23)12-25(10-15,11-16)22(28)9-20-18-5-3-4-6-19(18)21-13-26-14-27(20)21;24-16-3-1-2-15-18-10-26-11-27(18)17(21(15)16)6-19(28)23-7-12-4-13(8-23)20(22(25)29)14(5-12)9-23;24-16-3-1-2-15-18-10-25-11-26(18)17(21(15)16)6-19(27)23-7-12-4-13(8-23)20(22(28)29)14(5-12)9-23;24-18-3-1-2-16-20-10-25-12-26(20)19(22(16)18)6-21(28)23-7-13-4-14(8-23)17(11-27)15(5-13)9-23;24-22(28)21-14-5-13-6-15(21)10-23(8-13,9-14)20(27)7-18-16-3-1-2-4-17(16)19-11-25-12-26(18)19;26-20(7-18-16-3-1-2-4-17(16)19-11-24-12-25(18)19)23-8-13-5-14(9-23)21(22(27)28)15(6-13)10-23;26-12-19-15-5-14-6-16(19)10-23(8-14,9-15)22(27)7-20-17-3-1-2-4-18(17)21-11-24-13-25(20)21/h3-5,12-16,19,21,23,29-30H,6-11H2,1-2H3;3-6,13-17,20,22-23,28-29H,7-12H2,1-2H3;1-3,10-14,17,19-20,28H,4-9H2,(H2,25,29);1-3,10-14,17,19-20,27H,4-9H2,(H,28,29);1-3,10,12-15,17,19,21,27-28H,4-9,11H2;1-4,11-15,18,20-21,27H,5-10H2,(H2,24,28);1-4,11-15,18,20-21,26H,5-10H2,(H,27,28);1-4,11,13-16,19-20,22,26-27H,5-10,12H2.
What are the key properties of 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxamide;5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxylic acid;2-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]propan-2-ol;2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(hydroxymethyl)-1-adamantyl]ethanol;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxamide;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxylic acid;2-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]propan-2-ol;1-[4-(hydroxymethyl)-1-adamantyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxamide;5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxylic acid;2-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]propan-2-ol;2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(hydroxymethyl)-1-adamantyl]ethanol;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxamide;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxylic acid;2-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]propan-2-ol;1-[4-(hydroxymethyl)-1-adamantyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol has a molecular weight of 3097.94 g/mol, XLogP of 30.39, 32 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxamide;5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carboxylic acid;2-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]propan-2-ol;2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(hydroxymethyl)-1-adamantyl]ethanol;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxamide;5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]adamantane-2-carboxylic acid;2-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]propan-2-ol;1-[4-(hydroxymethyl)-1-adamantyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol is sourced from PubChem (CID 158783328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).