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

C121H132Br5N21O12+2 — CID 172928764

About 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

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 (PubChem CID 172928764) has the molecular formula C121H132Br5N21O12+2 and a molecular weight of 2472.04 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 172928764
• Molecular Formula: C121H132Br5N21O12+2
• Molecular Weight: 2472.04 g/mol
• Exact Mass: 2465.63
• IUPAC Name: 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
• SMILES: CCCOCCN1CCN(CCO/N=C2/C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.CCCOCC[NH+]1CC[NH+](CCO/N=C2/C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.CN(C)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.Oc1[nH]c2ccc(Br)cc2c1C1=Nc2ccccc2/C1=N\OCCC1CCCCC1.Oc1[nH]c2ccc(Br)cc2c1C1=Nc2ccccc2/C1=N\OCCN1CCCCC1
• InChI: InChI=1S/2C27H32BrN5O3.C24H24BrN3O2.C23H23BrN4O2.C20H19BrN4O2/c2*1-2-15-35-16-13-32-9-11-33(12-10-32)14-17-36-31-25-20-5-3-4-6-22(20)29-26(25)24-21-18-19(28)7-8-23(21)30-27(24)34;25-16-10-11-20-18(14-16)21(24(29)27-20)23-22(17-8-4-5-9-19(17)26-23)28-30-13-12-15-6-2-1-3-7-15;24-15-8-9-19-17(14-15)20(23(29)26-19)22-21(16-6-2-3-7-18(16)25-22)27-30-13-12-28-10-4-1-5-11-28;1-25(2)9-10-27-24-18-13-5-3-4-6-15(13)22-19(18)17-14-11-12(21)7-8-16(14)23-20(17)26/h2*3-8,18,30,34H,2,9-17H2,1H3;4-5,8-11,14-15,27,29H,1-3,6-7,12-13H2;2-3,6-9,14,26,29H,1,4-5,10-13H2;3-8,11,23,26H,9-10H2,1-2H3/p+2/b2*31-25+;28-22+;27-21+;24-18+
• InChIKey: FPZNRJQPMRXAQA-BUOLRXRYSA-P
• XLogP: 21.73
• TPSA: 390.15 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 35
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2472.04
LogP ≤ 5	21.73
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCCOCCN1CCN(CCO/N=C2/C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.CCCOCC[NH+]1CC[NH+](CCO/N=C2/C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.CN(C)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.Oc1[nH]c2ccc(Br)cc2c1C1=Nc2ccccc2/C1=N\OCCC1CCCCC1.Oc1[nH]c2ccc(Br)cc2c1C1=Nc2ccccc2/C1=N\OCCN1CCCCC1.

What is the InChIKey of 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?

The InChIKey is FPZNRJQPMRXAQA-BUOLRXRYSA-P. The full InChI is InChI=1S/2C27H32BrN5O3.C24H24BrN3O2.C23H23BrN4O2.C20H19BrN4O2/c2*1-2-15-35-16-13-32-9-11-33(12-10-32)14-17-36-31-25-20-5-3-4-6-22(20)29-26(25)24-21-18-19(28)7-8-23(21)30-27(24)34;25-16-10-11-20-18(14-16)21(24(29)27-20)23-22(17-8-4-5-9-19(17)26-23)28-30-13-12-15-6-2-1-3-7-15;24-15-8-9-19-17(14-15)20(23(29)26-19)22-21(16-6-2-3-7-18(16)25-22)27-30-13-12-28-10-4-1-5-11-28;1-25(2)9-10-27-24-18-13-5-3-4-6-15(13)22-19(18)17-14-11-12(21)7-8-16(14)23-20(17)26/h2*3-8,18,30,34H,2,9-17H2,1H3;4-5,8-11,14-15,27,29H,1-3,6-7,12-13H2;2-3,6-9,14,26,29H,1,4-5,10-13H2;3-8,11,23,26H,9-10H2,1-2H3/p+2/b2*31-25+;28-22+;27-21+;24-18+.

What are the key properties of 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?

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 has a molecular weight of 2472.04 g/mol, XLogP of 21.73, 35 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 172928764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).