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

C19H20N4O3 — CID 123495559

IUPAC5-(hydroxymethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(CCCn2ccnc2)C(CO)C1c1c[nH]c2ccccc12
InChIInChI=1S/C19H20N4O3/c24-11-16-17(14-10-21-15-5-2-1-4-13(14)15)18(25)19(26)23(16)8-3-7-22-9-6-20-12-22/h1-2,4-6,9-10,12,16-17,21,24H,3,7-8,11H2
InChIKeyQWEYVFXGYYPKQL-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.31
Rot. Bonds6

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

5-(hydroxymethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione (PubChem CID 123495559) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione
PubChem CID123495559
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name5-(hydroxymethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(CCCn2ccnc2)C(CO)C1c1c[nH]c2ccccc12
InChIInChI=1S/C19H20N4O3/c24-11-16-17(14-10-21-15-5-2-1-4-13(14)15)18(25)19(26)23(16)8-3-7-22-9-6-20-12-22/h1-2,4-6,9-10,12,16-17,21,24H,3,7-8,11H2
InChIKeyQWEYVFXGYYPKQL-UHFFFAOYSA-N
XLogP1.31
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-propylpyrrolidine-2,3-dione
CID 123264300
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-(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)-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
N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride
CID 169442420
(4E)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(1H-indol-3-yl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
CID 108646333
1-(3-imidazol-1-ylpropyl)-5-(2-phenylethenyl)-4-propan-2-ylpyrrolidine-2,3-dione
CID 123573446

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione?
The IUPAC name of 5-(hydroxymethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione (CID 123495559) is 5-(hydroxymethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione.
What is the SMILES notation for 5-(hydroxymethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione?
The canonical SMILES for 5-(hydroxymethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione is O=C1C(=O)N(CCCn2ccnc2)C(CO)C1c1c[nH]c2ccccc12.
What is the InChIKey of 5-(hydroxymethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione?
The InChIKey is QWEYVFXGYYPKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-11-16-17(14-10-21-15-5-2-1-4-13(14)15)18(25)19(26)23(16)8-3-7-22-9-6-20-12-22/h1-2,4-6,9-10,12,16-17,21,24H,3,7-8,11H2.
What are the key properties of 5-(hydroxymethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione?
5-(hydroxymethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione has a molecular weight of 352.39 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione is sourced from PubChem (CID 123495559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).