4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[(E)-3-methylbut-1-enyl]-3-phenyl-2H-pyrrol-5-one

C21H25N3O2 — CID 25099487

IUPAC4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[(E)-3-methylbut-1-enyl]-3-phenyl-2H-pyrrol-5-one
SMILESCC(C)/C=C/C1C(c2ccccc2)=C(O)C(=O)N1CCCn1ccnc1
InChIInChI=1S/C21H25N3O2/c1-16(2)9-10-18-19(17-7-4-3-5-8-17)20(25)21(26)24(18)13-6-12-23-14-11-22-15-23/h3-5,7-11,14-16,18,25H,6,12-13H2,1-2H3/b10-9+
InChIKeyGFCNJPMZRYHGME-MDZDMXLPSA-N
MW351.45 g/mol
LogP3.67
Rot. Bonds7

About 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[(E)-3-methylbut-1-enyl]-3-phenyl-2H-pyrrol-5-one

4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[(E)-3-methylbut-1-enyl]-3-phenyl-2H-pyrrol-5-one (PubChem CID 25099487) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[(E)-3-methylbut-1-enyl]-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[(E)-3-methylbut-1-enyl]-3-phenyl-2H-pyrrol-5-one
PubChem CID25099487
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[(E)-3-methylbut-1-enyl]-3-phenyl-2H-pyrrol-5-one
SMILESCC(C)/C=C/C1C(c2ccccc2)=C(O)C(=O)N1CCCn1ccnc1
InChIInChI=1S/C21H25N3O2/c1-16(2)9-10-18-19(17-7-4-3-5-8-17)20(25)21(26)24(18)13-6-12-23-14-11-22-15-23/h3-5,7-11,14-16,18,25H,6,12-13H2,1-2H3/b10-9+
InChIKeyGFCNJPMZRYHGME-MDZDMXLPSA-N
XLogP3.67
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pent-1-enyl-3-phenyl-2H-pyrrol-5-one
CID 68989517
2-(cyclohexen-1-yl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-phenyl-2H-pyrrol-5-one
CID 25099530
4-hydroxy-2,3-bis(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 25099742
1-(3-imidazol-1-ylpropyl)-5-(2-phenylethenyl)-4-propan-2-ylpyrrolidine-2,3-dione
CID 123573446
2-(4-butoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 4697474
4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-2-pentyl-2H-pyrrol-5-one
CID 68992339
2-(3-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-propan-2-yl-2H-pyrrol-5-one
CID 25099411
(2S)-3-acetyl-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 1112621
(2S)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 780369
(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-[(E)-2-phenylethenyl]pyrrolidine-2,3-dione
CID 126477674
(2R)-3-acetyl-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(2-nitrophenyl)-2H-pyrrol-5-one
CID 1112616
5-(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrolidine-2,3-dione
CID 123435016

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[(E)-3-methylbut-1-enyl]-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[(E)-3-methylbut-1-enyl]-3-phenyl-2H-pyrrol-5-one (CID 25099487) is 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[(E)-3-methylbut-1-enyl]-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[(E)-3-methylbut-1-enyl]-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[(E)-3-methylbut-1-enyl]-3-phenyl-2H-pyrrol-5-one is CC(C)/C=C/C1C(c2ccccc2)=C(O)C(=O)N1CCCn1ccnc1.
What is the InChIKey of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[(E)-3-methylbut-1-enyl]-3-phenyl-2H-pyrrol-5-one?
The InChIKey is GFCNJPMZRYHGME-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16(2)9-10-18-19(17-7-4-3-5-8-17)20(25)21(26)24(18)13-6-12-23-14-11-22-15-23/h3-5,7-11,14-16,18,25H,6,12-13H2,1-2H3/b10-9+.
What are the key properties of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[(E)-3-methylbut-1-enyl]-3-phenyl-2H-pyrrol-5-one?
4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[(E)-3-methylbut-1-enyl]-3-phenyl-2H-pyrrol-5-one has a molecular weight of 351.45 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[(E)-3-methylbut-1-enyl]-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 25099487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).