1-(1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-morpholin-4-yl-3-nitrophenyl)ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-(2-nitrophenyl)piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol

C133H139F8N19O12 — CID 161474488

About 1-(1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-morpholin-4-yl-3-nitrophenyl)ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-(2-nitrophenyl)piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol

1-(1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-morpholin-4-yl-3-nitrophenyl)ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-(2-nitrophenyl)piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol (PubChem CID 161474488) has the molecular formula C133H139F8N19O12 and a molecular weight of 2347.68 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-morpholin-4-yl-3-nitrophenyl)ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-(2-nitrophenyl)piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol.

Molecular Properties

• Compound Name: 1-(1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-morpholin-4-yl-3-nitrophenyl)ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-(2-nitrophenyl)piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
• PubChem CID: 161474488
• Molecular Formula: C133H139F8N19O12
• Molecular Weight: 2347.68 g/mol
• Exact Mass: 2346.07
• IUPAC Name: 1-(1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-morpholin-4-yl-3-nitrophenyl)ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-(2-nitrophenyl)piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
• SMILES: FC(F)(CC1c2ccccc2-c2cncn21)C1CCCCC1.O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1.O=[N+]([O-])c1cc(C(O)CC2c3ccccc3-c3cncn32)ccc1N1CCOCC1.O=[N+]([O-])c1ccccc1N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1.OC(CC1c2ccccc2-c2cncn21)C12CC3CC(CC(C3)C1)C2.OC(CC1c2ccccc2-c2cncn21)C1CCN(c2ccc(C(F)(F)F)cc2)CC1
• InChI: InChI=1S/C24H23F3N4O3.C24H24F3N3O.C23H24N4O3.C22H22N4O4.C22H26N2O.C18H20F2N2/c25-24(26,27)16-5-6-19(21(11-16)31(33)34)29-9-7-15(8-10-29)23(32)12-20-17-3-1-2-4-18(17)22-13-28-14-30(20)22;25-24(26,27)17-5-7-18(8-6-17)29-11-9-16(10-12-29)23(31)13-21-19-3-1-2-4-20(19)22-14-28-15-30(21)22;28-23(13-21-17-5-1-2-6-18(17)22-14-24-15-26(21)22)16-9-11-25(12-10-16)19-7-3-4-8-20(19)27(29)30;27-22(12-19-16-3-1-2-4-17(16)21-13-23-14-25(19)21)15-5-6-18(20(11-15)26(28)29)24-7-9-30-10-8-24;25-21(22-9-14-5-15(10-22)7-16(6-14)11-22)8-19-17-3-1-2-4-18(17)20-12-23-13-24(19)20;19-18(20,13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-21-12-22(16)17/h1-6,11,13-15,20,23,32H,7-10,12H2;1-8,14-16,21,23,31H,9-13H2;1-8,14-16,21,23,28H,9-13H2;1-6,11,13-14,19,22,27H,7-10,12H2;1-4,12-16,19,21,25H,5-11H2;4-5,8-9,11-13,16H,1-3,6-7,10H2
• InChIKey: WDNLMHPAYCQYLD-UHFFFAOYSA-N
• XLogP: 27.02
• TPSA: 359.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2347.68
LogP ≤ 5	27.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-morpholin-4-yl-3-nitrophenyl)ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-(2-nitrophenyl)piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol?

The IUPAC name of 1-(1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-morpholin-4-yl-3-nitrophenyl)ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-(2-nitrophenyl)piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol (CID 161474488) is 1-(1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-morpholin-4-yl-3-nitrophenyl)ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-(2-nitrophenyl)piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol.

What is the SMILES notation for 1-(1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-morpholin-4-yl-3-nitrophenyl)ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-(2-nitrophenyl)piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol?

The canonical SMILES for 1-(1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-morpholin-4-yl-3-nitrophenyl)ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-(2-nitrophenyl)piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol is FC(F)(CC1c2ccccc2-c2cncn21)C1CCCCC1.O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1.O=[N+]([O-])c1cc(C(O)CC2c3ccccc3-c3cncn32)ccc1N1CCOCC1.O=[N+]([O-])c1ccccc1N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1.OC(CC1c2ccccc2-c2cncn21)C12CC3CC(CC(C3)C1)C2.OC(CC1c2ccccc2-c2cncn21)C1CCN(c2ccc(C(F)(F)F)cc2)CC1.

What is the InChIKey of 1-(1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-morpholin-4-yl-3-nitrophenyl)ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-(2-nitrophenyl)piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol?

The InChIKey is WDNLMHPAYCQYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3.C24H24F3N3O.C23H24N4O3.C22H22N4O4.C22H26N2O.C18H20F2N2/c25-24(26,27)16-5-6-19(21(11-16)31(33)34)29-9-7-15(8-10-29)23(32)12-20-17-3-1-2-4-18(17)22-13-28-14-30(20)22;25-24(26,27)17-5-7-18(8-6-17)29-11-9-16(10-12-29)23(31)13-21-19-3-1-2-4-20(19)22-14-28-15-30(21)22;28-23(13-21-17-5-1-2-6-18(17)22-14-24-15-26(21)22)16-9-11-25(12-10-16)19-7-3-4-8-20(19)27(29)30;27-22(12-19-16-3-1-2-4-17(16)21-13-23-14-25(19)21)15-5-6-18(20(11-15)26(28)29)24-7-9-30-10-8-24;25-21(22-9-14-5-15(10-22)7-16(6-14)11-22)8-19-17-3-1-2-4-18(17)20-12-23-13-24(19)20;19-18(20,13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-21-12-22(16)17/h1-6,11,13-15,20,23,32H,7-10,12H2;1-8,14-16,21,23,31H,9-13H2;1-8,14-16,21,23,28H,9-13H2;1-6,11,13-14,19,22,27H,7-10,12H2;1-4,12-16,19,21,25H,5-11H2;4-5,8-9,11-13,16H,1-3,6-7,10H2.

What are the key properties of 1-(1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-morpholin-4-yl-3-nitrophenyl)ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-(2-nitrophenyl)piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol?

1-(1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-morpholin-4-yl-3-nitrophenyl)ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-(2-nitrophenyl)piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol has a molecular weight of 2347.68 g/mol, XLogP of 27.02, 25 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-morpholin-4-yl-3-nitrophenyl)ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-(2-nitrophenyl)piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol;2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 161474488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).