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

C19H17F3N4O2 — CID 123885552

IUPAC1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(CCCn2ccnc2)C(C(F)(F)F)C1c1c[nH]c2ccccc12
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)17-15(13-10-24-14-5-2-1-4-12(13)14)16(27)18(28)26(17)8-3-7-25-9-6-23-11-25/h1-2,4-6,9-11,15,17,24H,3,7-8H2
InChIKeyRJYSFLXHYIJEJW-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.88
Rot. Bonds5

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

1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrrolidine-2,3-dione (PubChem CID 123885552) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrrolidine-2,3-dione
PubChem CID123885552
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(CCCn2ccnc2)C(C(F)(F)F)C1c1c[nH]c2ccccc12
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)17-15(13-10-24-14-5-2-1-4-12(13)14)16(27)18(28)26(17)8-3-7-25-9-6-23-11-25/h1-2,4-6,9-11,15,17,24H,3,7-8H2
InChIKeyRJYSFLXHYIJEJW-UHFFFAOYSA-N
XLogP2.88
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.88
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

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
5-(hydroxymethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione
CID 123495559
1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-propylpyrrolidine-2,3-dione
CID 123264300
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)-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrrole-2,3-diol
CID 91546104
2-(3-imidazol-1-ylpropyl)-1-oxo-3H-benzo[e]isoindole-3-carbonitrile
CID 110448738
(2S)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 780369
1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol
CID 91539299
N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955799
1-(3-imidazol-1-ylpropyl)-5-(2-phenylethenyl)-4-propan-2-ylpyrrolidine-2,3-dione
CID 123573446
N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride
CID 169442420

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrrolidine-2,3-dione?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrrolidine-2,3-dione (CID 123885552) is 1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrrolidine-2,3-dione is O=C1C(=O)N(CCCn2ccnc2)C(C(F)(F)F)C1c1c[nH]c2ccccc12.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrrolidine-2,3-dione?
The InChIKey is RJYSFLXHYIJEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-19(21,22)17-15(13-10-24-14-5-2-1-4-12(13)14)16(27)18(28)26(17)8-3-7-25-9-6-23-11-25/h1-2,4-6,9-11,15,17,24H,3,7-8H2.
What are the key properties of 1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrrolidine-2,3-dione?
1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrrolidine-2,3-dione has a molecular weight of 390.37 g/mol, XLogP of 2.88, 5 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-(trifluoromethyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 123885552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).