1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]phenyl]morpholin-3-one;N-methylbutan-1-amine;morpholin-3-one;2-(1-tritylimidazol-4-yl)benzaldehyde

C104H98Br3N11O9 — CID 160757384

IUPAC1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]phenyl]morpholin-3-one;N-methylbutan-1-amine;morpholin-3-one;2-(1-tritylimidazol-4-yl)benzaldehyde
SMILESCC(=O)c1ccc(Br)cc1.CCCCNC.O=C(CC1c2ccccc2-c2cncn21)c1ccc(Br)cc1.O=C1COCCN1.O=C1COCCN1c1ccc(C(O)CC2c3ccccc3-c3cncn32)cc1.O=Cc1ccccc1-c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.OC(CC1c2ccccc2-c2cncn21)c1ccc(Br)cc1
InChIInChI=1S/C29H22N2O.C22H21N3O3.C18H15BrN2O.C18H13BrN2O.C8H7BrO.C5H13N.C4H7NO2/c32-21-23-12-10-11-19-27(23)28-20-31(22-30-28)29(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26;26-21(15-5-7-16(8-6-15)24-9-10-28-13-22(24)27)11-19-17-3-1-2-4-18(17)20-12-23-14-25(19)20;2*19-13-7-5-12(6-8-13)18(22)9-16-14-3-1-2-4-15(14)17-10-20-11-21(16)17;1-6(10)7-2-4-8(9)5-3-7;1-3-4-5-6-2;6-4-3-7-2-1-5-4/h1-22H;1-8,12,14,19,21,26H,9-11,13H2;1-8,10-11,16,18,22H,9H2;1-8,10-11,16H,9H2;2-5H,1H3;6H,3-5H2,1-2H3;1-3H2,(H,5,6)
InChIKeyRXPNBBGJBPZQDM-UHFFFAOYSA-N
MW1885.71 g/mol
LogP20.76
Rot. Bonds20

About 1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]phenyl]morpholin-3-one;N-methylbutan-1-amine;morpholin-3-one;2-(1-tritylimidazol-4-yl)benzaldehyde

1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]phenyl]morpholin-3-one;N-methylbutan-1-amine;morpholin-3-one;2-(1-tritylimidazol-4-yl)benzaldehyde (PubChem CID 160757384) has the molecular formula C104H98Br3N11O9 and a molecular weight of 1885.71 g/mol. Its IUPAC name is 1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]phenyl]morpholin-3-one;N-methylbutan-1-amine;morpholin-3-one;2-(1-tritylimidazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]phenyl]morpholin-3-one;N-methylbutan-1-amine;morpholin-3-one;2-(1-tritylimidazol-4-yl)benzaldehyde
PubChem CID160757384
Molecular FormulaC104H98Br3N11O9
Molecular Weight1885.71 g/mol
Exact Mass1881.51
IUPAC Name1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]phenyl]morpholin-3-one;N-methylbutan-1-amine;morpholin-3-one;2-(1-tritylimidazol-4-yl)benzaldehyde
SMILESCC(=O)c1ccc(Br)cc1.CCCCNC.O=C(CC1c2ccccc2-c2cncn21)c1ccc(Br)cc1.O=C1COCCN1.O=C1COCCN1c1ccc(C(O)CC2c3ccccc3-c3cncn32)cc1.O=Cc1ccccc1-c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.OC(CC1c2ccccc2-c2cncn21)c1ccc(Br)cc1
InChIInChI=1S/C29H22N2O.C22H21N3O3.C18H15BrN2O.C18H13BrN2O.C8H7BrO.C5H13N.C4H7NO2/c32-21-23-12-10-11-19-27(23)28-20-31(22-30-28)29(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26;26-21(15-5-7-16(8-6-15)24-9-10-28-13-22(24)27)11-19-17-3-1-2-4-18(17)20-12-23-14-25(19)20;2*19-13-7-5-12(6-8-13)18(22)9-16-14-3-1-2-4-15(14)17-10-20-11-21(16)17;1-6(10)7-2-4-8(9)5-3-7;1-3-4-5-6-2;6-4-3-7-2-1-5-4/h1-22H;1-8,12,14,19,21,26H,9-11,13H2;1-8,10-11,16,18,22H,9H2;1-8,10-11,16H,9H2;2-5H,1H3;6H,3-5H2,1-2H3;1-3H2,(H,5,6)
InChIKeyRXPNBBGJBPZQDM-UHFFFAOYSA-N
XLogP20.76
TPSA242.85 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001885.71
LogP ≤ 520.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]phenyl]morpholin-3-one;N-methylbutan-1-amine;morpholin-3-one;2-(1-tritylimidazol-4-yl)benzaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]phenyl]morpholin-3-one;N-methylbutan-1-amine;morpholin-3-one;2-(1-tritylimidazol-4-yl)benzaldehyde?
The IUPAC name of 1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]phenyl]morpholin-3-one;N-methylbutan-1-amine;morpholin-3-one;2-(1-tritylimidazol-4-yl)benzaldehyde (CID 160757384) is 1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]phenyl]morpholin-3-one;N-methylbutan-1-amine;morpholin-3-one;2-(1-tritylimidazol-4-yl)benzaldehyde.
What is the SMILES notation for 1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]phenyl]morpholin-3-one;N-methylbutan-1-amine;morpholin-3-one;2-(1-tritylimidazol-4-yl)benzaldehyde?
The canonical SMILES for 1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]phenyl]morpholin-3-one;N-methylbutan-1-amine;morpholin-3-one;2-(1-tritylimidazol-4-yl)benzaldehyde is CC(=O)c1ccc(Br)cc1.CCCCNC.O=C(CC1c2ccccc2-c2cncn21)c1ccc(Br)cc1.O=C1COCCN1.O=C1COCCN1c1ccc(C(O)CC2c3ccccc3-c3cncn32)cc1.O=Cc1ccccc1-c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.OC(CC1c2ccccc2-c2cncn21)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]phenyl]morpholin-3-one;N-methylbutan-1-amine;morpholin-3-one;2-(1-tritylimidazol-4-yl)benzaldehyde?
The InChIKey is RXPNBBGJBPZQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O.C22H21N3O3.C18H15BrN2O.C18H13BrN2O.C8H7BrO.C5H13N.C4H7NO2/c32-21-23-12-10-11-19-27(23)28-20-31(22-30-28)29(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26;26-21(15-5-7-16(8-6-15)24-9-10-28-13-22(24)27)11-19-17-3-1-2-4-18(17)20-12-23-14-25(19)20;2*19-13-7-5-12(6-8-13)18(22)9-16-14-3-1-2-4-15(14)17-10-20-11-21(16)17;1-6(10)7-2-4-8(9)5-3-7;1-3-4-5-6-2;6-4-3-7-2-1-5-4/h1-22H;1-8,12,14,19,21,26H,9-11,13H2;1-8,10-11,16,18,22H,9H2;1-8,10-11,16H,9H2;2-5H,1H3;6H,3-5H2,1-2H3;1-3H2,(H,5,6).
What are the key properties of 1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]phenyl]morpholin-3-one;N-methylbutan-1-amine;morpholin-3-one;2-(1-tritylimidazol-4-yl)benzaldehyde?
1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]phenyl]morpholin-3-one;N-methylbutan-1-amine;morpholin-3-one;2-(1-tritylimidazol-4-yl)benzaldehyde has a molecular weight of 1885.71 g/mol, XLogP of 20.76, 20 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(4-bromophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]phenyl]morpholin-3-one;N-methylbutan-1-amine;morpholin-3-one;2-(1-tritylimidazol-4-yl)benzaldehyde is sourced from PubChem (CID 160757384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).