5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium;5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol

C166H179Br7N26O16+2 — CID 172965970

IUPAC5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium;5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
SMILESCCC(CC)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CCC(O)CN(C)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CCC(O)C[NH+](C)CCON=C1/C(=C2/C(=O)Nc3ccc(Br)cc32)Cc2ccccc21.CCCN1CCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.CCC[NH+]1CCC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.CCN(CC)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.Oc1[nH]c2ccc(Br)cc2c1C1=Nc2ccccc2/C1=N\OCCC1CCCC1
InChIInChI=1S/C26H29BrN4O2.C25H28BrN5O2.C24H26BrN3O3.C23H25BrN4O3.C23H22BrN3O2.C23H24BrN3O2.C22H23BrN4O2/c1-2-12-31-13-9-17(10-14-31)11-15-33-30-24-19-5-3-4-6-21(19)28-25(24)23-20-16-18(27)7-8-22(20)29-26(23)32;1-2-9-30-10-12-31(13-11-30)14-15-33-29-23-18-5-3-4-6-20(18)27-24(23)22-19-16-17(26)7-8-21(19)28-25(22)32;1-3-17(29)14-28(2)10-11-31-27-23-18-7-5-4-6-15(18)12-20(23)22-19-13-16(25)8-9-21(19)26-24(22)30;1-3-15(29)13-28(2)10-11-31-27-21-16-6-4-5-7-18(16)25-22(21)20-17-12-14(24)8-9-19(17)26-23(20)30;24-15-9-10-19-17(13-15)20(23(28)26-19)22-21(16-7-3-4-8-18(16)25-22)27-29-12-11-14-5-1-2-6-14;1-3-14(4-2)11-12-29-27-21-16-7-5-6-8-18(16)25-22(21)20-17-13-15(24)9-10-19(17)26-23(20)28;1-3-27(4-2)11-12-29-26-20-15-7-5-6-8-17(15)24-21(20)19-16-13-14(23)9-10-18(16)25-22(19)28/h3-8,16-17,29,32H,2,9-15H2,1H3;3-8,16,28,32H,2,9-15H2,1H3;4-9,13,17,29H,3,10-12,14H2,1-2H3,(H,26,30);4-9,12,15,26,29-30H,3,10-11,13H2,1-2H3;3-4,7-10,13-14,26,28H,1-2,5-6,11-12H2;5-10,13-14,26,28H,3-4,11-12H2,1-2H3;5-10,13,25,28H,3-4,11-12H2,1-2H3/p+2/b;;22-20+,27-23?;;27-21+;;
InChIKeyAJWLFLHWXSKLNK-IRPRELFDSA-P
MW3353.75 g/mol
LogP32.94
Rot. Bonds48

About 5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium;5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol

5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium;5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol (PubChem CID 172965970) has the molecular formula C166H179Br7N26O16+2 and a molecular weight of 3353.75 g/mol. Its IUPAC name is 5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium;5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium;5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
PubChem CID172965970
Molecular FormulaC166H179Br7N26O16+2
Molecular Weight3353.75 g/mol
Exact Mass3344.83
IUPAC Name5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium;5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
SMILESCCC(CC)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CCC(O)CN(C)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CCC(O)C[NH+](C)CCON=C1/C(=C2/C(=O)Nc3ccc(Br)cc32)Cc2ccccc21.CCCN1CCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.CCC[NH+]1CCC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.CCN(CC)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.Oc1[nH]c2ccc(Br)cc2c1C1=Nc2ccccc2/C1=N\OCCC1CCCC1
InChIInChI=1S/C26H29BrN4O2.C25H28BrN5O2.C24H26BrN3O3.C23H25BrN4O3.C23H22BrN3O2.C23H24BrN3O2.C22H23BrN4O2/c1-2-12-31-13-9-17(10-14-31)11-15-33-30-24-19-5-3-4-6-21(19)28-25(24)23-20-16-18(27)7-8-22(20)29-26(23)32;1-2-9-30-10-12-31(13-11-30)14-15-33-29-23-18-5-3-4-6-20(18)27-24(23)22-19-16-17(26)7-8-21(19)28-25(22)32;1-3-17(29)14-28(2)10-11-31-27-23-18-7-5-4-6-15(18)12-20(23)22-19-13-16(25)8-9-21(19)26-24(22)30;1-3-15(29)13-28(2)10-11-31-27-21-16-6-4-5-7-18(16)25-22(21)20-17-12-14(24)8-9-19(17)26-23(20)30;24-15-9-10-19-17(13-15)20(23(28)26-19)22-21(16-7-3-4-8-18(16)25-22)27-29-12-11-14-5-1-2-6-14;1-3-14(4-2)11-12-29-27-21-16-7-5-6-8-18(16)25-22(21)20-17-13-15(24)9-10-19(17)26-23(20)28;1-3-27(4-2)11-12-29-26-20-15-7-5-6-8-17(15)24-21(20)19-16-13-14(23)9-10-18(16)25-22(19)28/h3-8,16-17,29,32H,2,9-15H2,1H3;3-8,16,28,32H,2,9-15H2,1H3;4-9,13,17,29H,3,10-12,14H2,1-2H3,(H,26,30);4-9,12,15,26,29-30H,3,10-11,13H2,1-2H3;3-4,7-10,13-14,26,28H,1-2,5-6,11-12H2;5-10,13-14,26,28H,3-4,11-12H2,1-2H3;5-10,13,25,28H,3-4,11-12H2,1-2H3/p+2/b;;22-20+,27-23?;;27-21+;;
InChIKeyAJWLFLHWXSKLNK-IRPRELFDSA-P
XLogP32.94
TPSA532.81 Ų
H-Bond Donors17
H-Bond Acceptors33
Rotatable Bonds48
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003353.75
LogP ≤ 532.94
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_A(9)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium;5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol with MolForge

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Related Compounds

6-bromo-3-[(3Z)-3-(3-cyclopentylpropylidene)indol-2-yl]-1H-indol-2-ol;3-[(3Z)-3-(3-cyclohexylpropylidene)indol-2-yl]-6-methyl-1H-indol-2-ol;(3E)-3-[(Z)-6-[4-[2-(2-hydroxyethoxy)ethyl]cyclohexyl]-3-phenylhex-3-en-2-ylidene]-6-methyl-1H-inden-2-one;3-[(3Z)-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propylidene]-1,2-dihydroindol-2-yl]-6-methyl-1,3-dihydroindol-2-one
CID 159954226
5-bromo-3-[3-[4-[2-(dimethylamino)ethyl-methylamino]butoxyimino]indol-2-yl]-1H-indol-2-ol;4-[[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxybutyl-methyl-(3-methylbutyl)azanium;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[4-[methyl(propyl)amino]butoxyimino]indol-2-yl]-1H-indol-2-ol
CID 164979408
5-bromo-3-[3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-methylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;bis(5-bromo-3-[3-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol);5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
CID 167589450
5-bromo-3-[3-[2-[2-(dimethylamino)ethyl-methylamino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[methyl(3-methylbutyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(2-methylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol
CID 167608107
5-bromo-3-[3-[2-[2-(dimethylamino)ethyl-methylamino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-(3-methylbutyl)azanium;5-bromo-3-[3-[3-(4-methylcyclohexyl)butoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-methyl-4-pyridin-2-ylbutoxy)iminoindol-2-yl]-1H-indol-2-ol
CID 167698295
2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-propylazanium;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;(3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one
CID 172916925
5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium;5-bromo-3-[(3E)-3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
CID 172918593
5-bromo-3-[(3E)-3-[2-[2-(dimethylamino)ethyl-methylamino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-(3-methylbutyl)azanium;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
CID 172919626
5-bromo-3-[(3E)-3-[2-[2-(dimethylamino)ethyl-methylamino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-(3-methylbutyl)azanium;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;methane
CID 172920921
5-bromo-3-[(3E)-3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium
CID 172927378
5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[4-(2-propoxyethyl)piperazine-1,4-diium-1-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol
CID 172928764
5-bromo-3-[(3E)-3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium;5-bromo-3-[(3E)-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
CID 172929614

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium;5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol?
The IUPAC name of 5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium;5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol (CID 172965970) is 5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium;5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol.
What is the SMILES notation for 5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium;5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol?
The canonical SMILES for 5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium;5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol is CCC(CC)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CCC(O)CN(C)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CCC(O)C[NH+](C)CCON=C1/C(=C2/C(=O)Nc3ccc(Br)cc32)Cc2ccccc21.CCCN1CCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.CCC[NH+]1CCC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.CCN(CC)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.Oc1[nH]c2ccc(Br)cc2c1C1=Nc2ccccc2/C1=N\OCCC1CCCC1.
What is the InChIKey of 5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium;5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol?
The InChIKey is AJWLFLHWXSKLNK-IRPRELFDSA-P. The full InChI is InChI=1S/C26H29BrN4O2.C25H28BrN5O2.C24H26BrN3O3.C23H25BrN4O3.C23H22BrN3O2.C23H24BrN3O2.C22H23BrN4O2/c1-2-12-31-13-9-17(10-14-31)11-15-33-30-24-19-5-3-4-6-21(19)28-25(24)23-20-16-18(27)7-8-22(20)29-26(23)32;1-2-9-30-10-12-31(13-11-30)14-15-33-29-23-18-5-3-4-6-20(18)27-24(23)22-19-16-17(26)7-8-21(19)28-25(22)32;1-3-17(29)14-28(2)10-11-31-27-23-18-7-5-4-6-15(18)12-20(23)22-19-13-16(25)8-9-21(19)26-24(22)30;1-3-15(29)13-28(2)10-11-31-27-21-16-6-4-5-7-18(16)25-22(21)20-17-12-14(24)8-9-19(17)26-23(20)30;24-15-9-10-19-17(13-15)20(23(28)26-19)22-21(16-7-3-4-8-18(16)25-22)27-29-12-11-14-5-1-2-6-14;1-3-14(4-2)11-12-29-27-21-16-7-5-6-8-18(16)25-22(21)20-17-13-15(24)9-10-19(17)26-23(20)28;1-3-27(4-2)11-12-29-26-20-15-7-5-6-8-17(15)24-21(20)19-16-13-14(23)9-10-18(16)25-22(19)28/h3-8,16-17,29,32H,2,9-15H2,1H3;3-8,16,28,32H,2,9-15H2,1H3;4-9,13,17,29H,3,10-12,14H2,1-2H3,(H,26,30);4-9,12,15,26,29-30H,3,10-11,13H2,1-2H3;3-4,7-10,13-14,26,28H,1-2,5-6,11-12H2;5-10,13-14,26,28H,3-4,11-12H2,1-2H3;5-10,13,25,28H,3-4,11-12H2,1-2H3/p+2/b;;22-20+,27-23?;;27-21+;;.
What are the key properties of 5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium;5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol?
5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium;5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol has a molecular weight of 3353.75 g/mol, XLogP of 32.94, 48 rotatable bonds, 17 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium;5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol is sourced from PubChem (CID 172965970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).