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

C117H126Br5N21O10 — CID 167608107

IUPAC5-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
SMILESCC(C)CCN(C)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CC1CC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CCN1.CC1CCCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CCCN(C)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CN(C)CCN(C)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21
InChIInChI=1S/2C24H25BrN4O2.C24H27BrN4O2.C23H26BrN5O2.C22H23BrN4O2/c1-15-5-4-10-29(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;1-14-12-15(8-10-26-14)9-11-31-29-22-17-4-2-3-5-19(17)27-23(22)21-18-13-16(25)6-7-20(18)28-24(21)30;1-15(2)10-11-29(3)12-13-31-28-22-17-6-4-5-7-19(17)26-23(22)21-18-14-16(25)8-9-20(18)27-24(21)30;1-28(2)10-11-29(3)12-13-31-27-21-16-6-4-5-7-18(16)25-22(21)20-17-14-15(24)8-9-19(17)26-23(20)30;1-3-10-27(2)11-12-29-26-20-15-6-4-5-7-17(15)24-21(20)19-16-13-14(23)8-9-18(16)25-22(19)28/h2-3,6-9,13,15,27,30H,4-5,10-12,14H2,1H3;2-7,13-15,26,28,30H,8-12H2,1H3;4-9,14-15,27,30H,10-13H2,1-3H3;4-9,14,26,30H,10-13H2,1-3H3;4-9,13,25,28H,3,10-12H2,1-2H3
InChIKeyYVIRTRYUDYRVFY-UHFFFAOYSA-N
MW2385.95 g/mol
LogP24.78
Rot. Bonds33

About 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

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 (PubChem CID 167608107) has the molecular formula C117H126Br5N21O10 and a molecular weight of 2385.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID167608107
Molecular FormulaC117H126Br5N21O10
Molecular Weight2385.95 g/mol
Exact Mass2379.59
IUPAC Name5-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
SMILESCC(C)CCN(C)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CC1CC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CCN1.CC1CCCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CCCN(C)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CN(C)CCN(C)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21
InChIInChI=1S/2C24H25BrN4O2.C24H27BrN4O2.C23H26BrN5O2.C22H23BrN4O2/c1-15-5-4-10-29(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;1-14-12-15(8-10-26-14)9-11-31-29-22-17-4-2-3-5-19(17)27-23(22)21-18-13-16(25)6-7-20(18)28-24(21)30;1-15(2)10-11-29(3)12-13-31-28-22-17-6-4-5-7-19(17)26-23(22)21-18-14-16(25)8-9-20(18)27-24(21)30;1-28(2)10-11-29(3)12-13-31-27-21-16-6-4-5-7-18(16)25-22(21)20-17-14-15(24)8-9-19(17)26-23(20)30;1-3-10-27(2)11-12-29-26-20-15-6-4-5-7-17(15)24-21(20)19-16-13-14(23)8-9-18(16)25-22(19)28/h2-3,6-9,13,15,27,30H,4-5,10-12,14H2,1H3;2-7,13-15,26,28,30H,8-12H2,1H3;4-9,14-15,27,30H,10-13H2,1-3H3;4-9,14,26,30H,10-13H2,1-3H3;4-9,13,25,28H,3,10-12H2,1-2H3
InChIKeyYVIRTRYUDYRVFY-UHFFFAOYSA-N
XLogP24.78
TPSA378.08 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds33
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002385.95
LogP ≤ 524.78
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

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-[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 with MolForge

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Related Compounds

5-bromo-3-[(3E)-3-[2-(3-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
CID 136950463
5-bromo-3-[3-[2-(3-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
CID 137019715
5-bromo-3-[3-[2-(3-methylpiperazin-4-ium-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
CID 147606060
5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;methane
CID 157186105
5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
CID 161272715
5-bromo-3-[3-[2-(4-methylpiperazin-1-ium-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
CID 163656521
2-[[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-dimethyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 163896906
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-methylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
CID 167608108
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
5-bromo-3-[3-[2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol
CID 169132897

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CCN(C)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CC1CC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CCN1.CC1CCCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CCCN(C)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CN(C)CCN(C)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.
What is the InChIKey of 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?
The InChIKey is YVIRTRYUDYRVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H25BrN4O2.C24H27BrN4O2.C23H26BrN5O2.C22H23BrN4O2/c1-15-5-4-10-29(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;1-14-12-15(8-10-26-14)9-11-31-29-22-17-4-2-3-5-19(17)27-23(22)21-18-13-16(25)6-7-20(18)28-24(21)30;1-15(2)10-11-29(3)12-13-31-28-22-17-6-4-5-7-19(17)26-23(22)21-18-14-16(25)8-9-20(18)27-24(21)30;1-28(2)10-11-29(3)12-13-31-27-21-16-6-4-5-7-18(16)25-22(21)20-17-14-15(24)8-9-19(17)26-23(20)30;1-3-10-27(2)11-12-29-26-20-15-6-4-5-7-17(15)24-21(20)19-16-13-14(23)8-9-18(16)25-22(19)28/h2-3,6-9,13,15,27,30H,4-5,10-12,14H2,1H3;2-7,13-15,26,28,30H,8-12H2,1H3;4-9,14-15,27,30H,10-13H2,1-3H3;4-9,14,26,30H,10-13H2,1-3H3;4-9,13,25,28H,3,10-12H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2385.95 g/mol, XLogP of 24.78, 33 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167608107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).