5-(furan-2-yl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrolidin-2-one

C20H21N3O3 — CID 70963443

IUPAC5-(furan-2-yl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrolidin-2-one
SMILESO=C1C(O)C(c2ccccc2)C(c2ccco2)N1CCCn1ccnc1
InChIInChI=1S/C20H21N3O3/c24-19-17(15-6-2-1-3-7-15)18(16-8-4-13-26-16)23(20(19)25)11-5-10-22-12-9-21-14-22/h1-4,6-9,12-14,17-19,24H,5,10-11H2
InChIKeyIZVBFDACTIJFBM-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.59
Rot. Bonds6

About 5-(furan-2-yl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrolidin-2-one

5-(furan-2-yl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrolidin-2-one (PubChem CID 70963443) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(furan-2-yl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrolidin-2-one
PubChem CID70963443
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name5-(furan-2-yl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrolidin-2-one
SMILESO=C1C(O)C(c2ccccc2)C(c2ccco2)N1CCCn1ccnc1
InChIInChI=1S/C20H21N3O3/c24-19-17(15-6-2-1-3-7-15)18(16-8-4-13-26-16)23(20(19)25)11-5-10-22-12-9-21-14-22/h1-4,6-9,12-14,17-19,24H,5,10-11H2
InChIKeyIZVBFDACTIJFBM-UHFFFAOYSA-N
XLogP2.59
TPSA71.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4E,5S)-5-(furan-2-yl)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 5447595
(2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 95311627
4-[(4-chlorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 2909845
(4E,5R)-5-(furan-2-yl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 5437287
2-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 2910207
(2R)-2-(furan-2-yl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1155966
(5S)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(furan-2-yl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 1305568
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 40964827
(5R)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-5-(furan-2-yl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 40841222
(5S)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrolidine-2,3-dione
CID 1155695
(2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 40617926
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]imino-5-(furan-2-yl)-1-(3-imidazol-1-ylpropyl)imidazolidin-2-one
CID 135922898

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrolidin-2-one?
The IUPAC name of 5-(furan-2-yl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrolidin-2-one (CID 70963443) is 5-(furan-2-yl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 5-(furan-2-yl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrolidin-2-one?
The canonical SMILES for 5-(furan-2-yl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrolidin-2-one is O=C1C(O)C(c2ccccc2)C(c2ccco2)N1CCCn1ccnc1.
What is the InChIKey of 5-(furan-2-yl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrolidin-2-one?
The InChIKey is IZVBFDACTIJFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-19-17(15-6-2-1-3-7-15)18(16-8-4-13-26-16)23(20(19)25)11-5-10-22-12-9-21-14-22/h1-4,6-9,12-14,17-19,24H,5,10-11H2.
What are the key properties of 5-(furan-2-yl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrolidin-2-one?
5-(furan-2-yl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrolidin-2-one has a molecular weight of 351.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 70963443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).