1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-propylpyrrolidine-2,3-dione

C21H24N4O2 — CID 123264300

IUPAC1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-propylpyrrolidine-2,3-dione
SMILESCCCC1C(c2c[nH]c3ccccc23)C(=O)C(=O)N1CCCn1ccnc1
InChIInChI=1S/C21H24N4O2/c1-2-6-18-19(16-13-23-17-8-4-3-7-15(16)17)20(26)21(27)25(18)11-5-10-24-12-9-22-14-24/h3-4,7-9,12-14,18-19,23H,2,5-6,10-11H2,1H3
InChIKeyIUKBVYLGPAYXRJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.12
Rot. Bonds7

About 1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-propylpyrrolidine-2,3-dione

1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-propylpyrrolidine-2,3-dione (PubChem CID 123264300) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-propylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-propylpyrrolidine-2,3-dione
PubChem CID123264300
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-propylpyrrolidine-2,3-dione
SMILESCCCC1C(c2c[nH]c3ccccc23)C(=O)C(=O)N1CCCn1ccnc1
InChIInChI=1S/C21H24N4O2/c1-2-6-18-19(16-13-23-17-8-4-3-7-15(16)17)20(26)21(27)25(18)11-5-10-24-12-9-22-14-24/h3-4,7-9,12-14,18-19,23H,2,5-6,10-11H2,1H3
InChIKeyIUKBVYLGPAYXRJ-UHFFFAOYSA-N
XLogP3.12
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(hydroxymethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione
CID 123495559
1-(3-imidazol-1-ylpropyl)-4,5-bis(1H-indol-3-yl)pyrrolidine-2,3-dione
CID 123857939
5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione
CID 123587198
1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrrolidine-2,3-dione
CID 123885552
4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-2-pentyl-2H-pyrrol-5-one
CID 68992339
1-(3-imidazol-1-ylpropyl)-5-methyl-4-pentylpyrrolidine-2,3-dione
CID 123749269
4-[2-imidazol-1-yl-1-(1H-indol-3-yl)ethyl]-2-propyl-3,4-dihydroisoquinolin-1-one
CID 135564061
5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-pentylpyrrolidine-2,3-dione
CID 123156683
1-(3-imidazol-1-ylpropyl)-4-pentyl-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 90909335
1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol
CID 91539299
1-(3-imidazol-1-ylpropyl)-5-(2-phenylethenyl)-4-propan-2-ylpyrrolidine-2,3-dione
CID 123573446
2-(3-imidazol-1-ylpropyl)-1-oxo-3H-benzo[e]isoindole-3-carbonitrile
CID 110448738

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-propylpyrrolidine-2,3-dione?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-propylpyrrolidine-2,3-dione (CID 123264300) is 1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-propylpyrrolidine-2,3-dione.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-propylpyrrolidine-2,3-dione?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-propylpyrrolidine-2,3-dione is CCCC1C(c2c[nH]c3ccccc23)C(=O)C(=O)N1CCCn1ccnc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-propylpyrrolidine-2,3-dione?
The InChIKey is IUKBVYLGPAYXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-6-18-19(16-13-23-17-8-4-3-7-15(16)17)20(26)21(27)25(18)11-5-10-24-12-9-22-14-24/h3-4,7-9,12-14,18-19,23H,2,5-6,10-11H2,1H3.
What are the key properties of 1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-propylpyrrolidine-2,3-dione?
1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-propylpyrrolidine-2,3-dione has a molecular weight of 364.45 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-propylpyrrolidine-2,3-dione is sourced from PubChem (CID 123264300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).