2-(3-imidazol-1-ylpropyl)-5-[2-(3-imidazol-1-ylpropyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione

C28H24N6O4 — CID 17296157

IUPAC2-(3-imidazol-1-ylpropyl)-5-[2-(3-imidazol-1-ylpropyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
SMILESO=C1c2ccc(-c3ccc4c(c3)C(=O)N(CCCn3ccnc3)C4=O)cc2C(=O)N1CCCn1ccnc1
InChIInChI=1S/C28H24N6O4/c35-25-21-5-3-19(15-23(21)27(37)33(25)11-1-9-31-13-7-29-17-31)20-4-6-22-24(16-20)28(38)34(26(22)36)12-2-10-32-14-8-30-18-32/h3-8,13-18H,1-2,9-12H2
InChIKeyGCBYHBKBPSAJFL-UHFFFAOYSA-N
MW508.54 g/mol
LogP3.12
Rot. Bonds9

About 2-(3-imidazol-1-ylpropyl)-5-[2-(3-imidazol-1-ylpropyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione

2-(3-imidazol-1-ylpropyl)-5-[2-(3-imidazol-1-ylpropyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione (PubChem CID 17296157) has the molecular formula C28H24N6O4 and a molecular weight of 508.54 g/mol. Its IUPAC name is 2-(3-imidazol-1-ylpropyl)-5-[2-(3-imidazol-1-ylpropyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-imidazol-1-ylpropyl)-5-[2-(3-imidazol-1-ylpropyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
PubChem CID17296157
Molecular FormulaC28H24N6O4
Molecular Weight508.54 g/mol
Exact Mass508.19
IUPAC Name2-(3-imidazol-1-ylpropyl)-5-[2-(3-imidazol-1-ylpropyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
SMILESO=C1c2ccc(-c3ccc4c(c3)C(=O)N(CCCn3ccnc3)C4=O)cc2C(=O)N1CCCn1ccnc1
InChIInChI=1S/C28H24N6O4/c35-25-21-5-3-19(15-23(21)27(37)33(25)11-1-9-31-13-7-29-17-31)20-4-6-22-24(16-20)28(38)34(26(22)36)12-2-10-32-14-8-30-18-32/h3-8,13-18H,1-2,9-12H2
InChIKeyGCBYHBKBPSAJFL-UHFFFAOYSA-N
XLogP3.12
TPSA110.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.54
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(3-imidazol-1-ylpropyl)-5-(4-nitrophenoxy)isoindole-1,3-dione
CID 1414644
6,13-bis(3-imidazol-1-ylpropyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dichloride
CID 11982787
6-amino-2-(4-imidazol-1-ylbutyl)benzo[de]isoquinoline-1,3-dione
CID 14281449
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 2994069
5-[4-(1,3-dioxo-2-undecylisoindol-5-yl)phenyl]-2-undecylisoindole-1,3-dione
CID 100956240
8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione
CID 5156407
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
2-(3-imidazol-1-ylpropyl)-6-methyl-3-oxo-1H-isoindole-1-carbonitrile
CID 110448035
3-[5-[2-(2-carboxyethyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]propanoic acid
CID 23907857
1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
CID 116624386
7-amino-1-(3-imidazol-1-ylpropyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 61494690
methyl 6-[5-[2-(6-methoxy-6-oxohexyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]hexanoate
CID 101160848

Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazol-1-ylpropyl)-5-[2-(3-imidazol-1-ylpropyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
The IUPAC name of 2-(3-imidazol-1-ylpropyl)-5-[2-(3-imidazol-1-ylpropyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione (CID 17296157) is 2-(3-imidazol-1-ylpropyl)-5-[2-(3-imidazol-1-ylpropyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-(3-imidazol-1-ylpropyl)-5-[2-(3-imidazol-1-ylpropyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
The canonical SMILES for 2-(3-imidazol-1-ylpropyl)-5-[2-(3-imidazol-1-ylpropyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione is O=C1c2ccc(-c3ccc4c(c3)C(=O)N(CCCn3ccnc3)C4=O)cc2C(=O)N1CCCn1ccnc1.
What is the InChIKey of 2-(3-imidazol-1-ylpropyl)-5-[2-(3-imidazol-1-ylpropyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
The InChIKey is GCBYHBKBPSAJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O4/c35-25-21-5-3-19(15-23(21)27(37)33(25)11-1-9-31-13-7-29-17-31)20-4-6-22-24(16-20)28(38)34(26(22)36)12-2-10-32-14-8-30-18-32/h3-8,13-18H,1-2,9-12H2.
What are the key properties of 2-(3-imidazol-1-ylpropyl)-5-[2-(3-imidazol-1-ylpropyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
2-(3-imidazol-1-ylpropyl)-5-[2-(3-imidazol-1-ylpropyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione has a molecular weight of 508.54 g/mol, XLogP of 3.12, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazol-1-ylpropyl)-5-[2-(3-imidazol-1-ylpropyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione is sourced from PubChem (CID 17296157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).