4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pent-1-enyl-3-phenyl-2H-pyrrol-5-one

C21H25N3O2 — CID 68989517

IUPAC4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pent-1-enyl-3-phenyl-2H-pyrrol-5-one
SMILESCCCC=CC1C(c2ccccc2)=C(O)C(=O)N1CCCn1ccnc1
InChIInChI=1S/C21H25N3O2/c1-2-3-5-11-18-19(17-9-6-4-7-10-17)20(25)21(26)24(18)14-8-13-23-15-12-22-16-23/h4-7,9-12,15-16,18,25H,2-3,8,13-14H2,1H3
InChIKeyMNRCDIMFEYWLNG-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.81
Rot. Bonds8

About 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pent-1-enyl-3-phenyl-2H-pyrrol-5-one

4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pent-1-enyl-3-phenyl-2H-pyrrol-5-one (PubChem CID 68989517) 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-pent-1-enyl-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pent-1-enyl-3-phenyl-2H-pyrrol-5-one
PubChem CID68989517
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pent-1-enyl-3-phenyl-2H-pyrrol-5-one
SMILESCCCC=CC1C(c2ccccc2)=C(O)C(=O)N1CCCn1ccnc1
InChIInChI=1S/C21H25N3O2/c1-2-3-5-11-18-19(17-9-6-4-7-10-17)20(25)21(26)24(18)14-8-13-23-15-12-22-16-23/h4-7,9-12,15-16,18,25H,2-3,8,13-14H2,1H3
InChIKeyMNRCDIMFEYWLNG-UHFFFAOYSA-N
XLogP3.81
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.81
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-[(E)-3-methylbut-1-enyl]-3-phenyl-2H-pyrrol-5-one
CID 25099487
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
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
(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
1-(3-imidazol-1-ylpropyl)-5-(2-phenylethenyl)-4-propan-2-ylpyrrolidine-2,3-dione
CID 123573446
1-(3-imidazol-1-ylpropyl)-5-methyl-4-pentylpyrrolidine-2,3-dione
CID 123749269
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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pent-1-enyl-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pent-1-enyl-3-phenyl-2H-pyrrol-5-one (CID 68989517) is 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pent-1-enyl-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pent-1-enyl-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pent-1-enyl-3-phenyl-2H-pyrrol-5-one is CCCC=CC1C(c2ccccc2)=C(O)C(=O)N1CCCn1ccnc1.
What is the InChIKey of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pent-1-enyl-3-phenyl-2H-pyrrol-5-one?
The InChIKey is MNRCDIMFEYWLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-3-5-11-18-19(17-9-6-4-7-10-17)20(25)21(26)24(18)14-8-13-23-15-12-22-16-23/h4-7,9-12,15-16,18,25H,2-3,8,13-14H2,1H3.
What are the key properties of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pent-1-enyl-3-phenyl-2H-pyrrol-5-one?
4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pent-1-enyl-3-phenyl-2H-pyrrol-5-one has a molecular weight of 351.45 g/mol, XLogP of 3.81, 8 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-pent-1-enyl-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 68989517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).