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

C124H140Br5N20O10+ — CID 164979408

IUPAC5-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
SMILESCC(C)CC[NH+](C)CCCCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CC1CCCC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CC1CCCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CCCN(C)CCCCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CN(C)CCN(C)CCCCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21
InChIInChI=1S/C26H31BrN4O2.C25H30BrN5O2.C25H26BrN3O2.C24H25BrN4O2.C24H27BrN4O2/c1-17(2)12-14-31(3)13-6-7-15-33-30-24-19-8-4-5-9-21(19)28-25(24)23-20-16-18(27)10-11-22(20)29-26(23)32;1-30(2)13-14-31(3)12-6-7-15-33-29-23-18-8-4-5-9-20(18)27-24(23)22-19-16-17(26)10-11-21(19)28-25(22)32;1-15-5-4-6-16(13-15)11-12-31-29-23-18-7-2-3-8-20(18)27-24(23)22-19-14-17(26)9-10-21(19)28-25(22)30;1-15-5-4-10-29(14-15)11-12-31-28-22-17-6-2-3-7-19(17)26-23(22)21-18-13-16(25)8-9-20(18)27-24(21)30;1-3-12-29(2)13-6-7-14-31-28-22-17-8-4-5-9-19(17)26-23(22)21-18-15-16(25)10-11-20(18)27-24(21)30/h4-5,8-11,16-17,29,32H,6-7,12-15H2,1-3H3;4-5,8-11,16,28,32H,6-7,12-15H2,1-3H3;2-3,7-10,14-16,28,30H,4-6,11-13H2,1H3;2-3,6-9,13,15,27,30H,4-5,10-12,14H2,1H3;4-5,8-11,15,27,30H,3,6-7,12-14H2,1-2H3/p+1
InChIKeyUWWQUUOOHXYEPF-UHFFFAOYSA-O
MW2470.13 g/mol
LogP27.14
Rot. Bonds39

About 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

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 (PubChem CID 164979408) has the molecular formula C124H140Br5N20O10+ and a molecular weight of 2470.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID164979408
Molecular FormulaC124H140Br5N20O10+
Molecular Weight2470.13 g/mol
Exact Mass2463.70
IUPAC Name5-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
SMILESCC(C)CC[NH+](C)CCCCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CC1CCCC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CC1CCCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CCCN(C)CCCCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CN(C)CCN(C)CCCCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21
InChIInChI=1S/C26H31BrN4O2.C25H30BrN5O2.C25H26BrN3O2.C24H25BrN4O2.C24H27BrN4O2/c1-17(2)12-14-31(3)13-6-7-15-33-30-24-19-8-4-5-9-21(19)28-25(24)23-20-16-18(27)10-11-22(20)29-26(23)32;1-30(2)13-14-31(3)12-6-7-15-33-29-23-18-8-4-5-9-20(18)27-24(23)22-19-16-17(26)10-11-21(19)28-25(22)32;1-15-5-4-6-16(13-15)11-12-31-29-23-18-7-2-3-8-20(18)27-24(23)22-19-14-17(26)9-10-21(19)28-25(22)30;1-15-5-4-10-29(14-15)11-12-31-28-22-17-6-2-3-7-19(17)26-23(22)21-18-13-16(25)8-9-20(18)27-24(21)30;1-3-12-29(2)13-6-7-14-31-28-22-17-8-4-5-9-19(17)26-23(22)21-18-15-16(25)10-11-20(18)27-24(21)30/h4-5,8-11,16-17,29,32H,6-7,12-15H2,1-3H3;4-5,8-11,16,28,32H,6-7,12-15H2,1-3H3;2-3,7-10,14-16,28,30H,4-6,11-13H2,1H3;2-3,6-9,13,15,27,30H,4-5,10-12,14H2,1H3;4-5,8-11,15,27,30H,3,6-7,12-14H2,1-2H3/p+1
InChIKeyUWWQUUOOHXYEPF-UHFFFAOYSA-O
XLogP27.14
TPSA367.25 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds39
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002470.13
LogP ≤ 527.14
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

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'}

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

5-bromo-3-[(3E)-3-(2-piperazin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
CID 136387395
5-bromo-3-[(3E)-3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
CID 136387386
3-[(3E)-5-bromo-3-(2-piperazin-1-ylethoxyimino)indol-2-yl]-5-methyl-1H-indol-2-ol;dihydrochloride
CID 135779793
3-[(3E)-5-bromo-3-(2-piperazin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
CID 135779823
3-[(3E)-5-bromo-3-(2-piperazin-1-ylethoxyimino)indol-2-yl]-5-methyl-1H-indol-2-ol
CID 135779794
3-[(3E)-5-bromo-3-(2-piperazin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;dihydrochloride
CID 136630664
3-[(3E)-5-bromo-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
CID 135779822
3-[(3E)-5-bromo-3-(2-pyrrolidin-1-ium-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol chloride
CID 135779824
3-[(3E)-5-bromo-3-(2-piperazine-1,4-diium-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol dichloride
CID 135779825
5-bromo-3-[(3E)-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
CID 136380904
5-bromo-3-[(3E)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol
CID 136387385
5-bromo-3-[(3E)-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol
CID 136387398

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CC[NH+](C)CCCCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CC1CCCC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CC1CCCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CCCN(C)CCCCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CN(C)CCN(C)CCCCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.
What is the InChIKey of 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?
The InChIKey is UWWQUUOOHXYEPF-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H31BrN4O2.C25H30BrN5O2.C25H26BrN3O2.C24H25BrN4O2.C24H27BrN4O2/c1-17(2)12-14-31(3)13-6-7-15-33-30-24-19-8-4-5-9-21(19)28-25(24)23-20-16-18(27)10-11-22(20)29-26(23)32;1-30(2)13-14-31(3)12-6-7-15-33-29-23-18-8-4-5-9-20(18)27-24(23)22-19-16-17(26)10-11-21(19)28-25(22)32;1-15-5-4-6-16(13-15)11-12-31-29-23-18-7-2-3-8-20(18)27-24(23)22-19-14-17(26)9-10-21(19)28-25(22)30;1-15-5-4-10-29(14-15)11-12-31-28-22-17-6-2-3-7-19(17)26-23(22)21-18-13-16(25)8-9-20(18)27-24(21)30;1-3-12-29(2)13-6-7-14-31-28-22-17-8-4-5-9-19(17)26-23(22)21-18-15-16(25)10-11-20(18)27-24(21)30/h4-5,8-11,16-17,29,32H,6-7,12-15H2,1-3H3;4-5,8-11,16,28,32H,6-7,12-15H2,1-3H3;2-3,7-10,14-16,28,30H,4-6,11-13H2,1H3;2-3,6-9,13,15,27,30H,4-5,10-12,14H2,1H3;4-5,8-11,15,27,30H,3,6-7,12-14H2,1-2H3/p+1.
What are the key properties of 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?
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 has a molecular weight of 2470.13 g/mol, XLogP of 27.14, 39 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164979408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).