2-(cyclohexen-1-yl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-phenyl-2H-pyrrol-5-one

C22H25N3O2 — CID 25099530

IUPAC2-(cyclohexen-1-yl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-phenyl-2H-pyrrol-5-one
SMILESO=C1C(O)=C(c2ccccc2)C(C2=CCCCC2)N1CCCn1ccnc1
InChIInChI=1S/C22H25N3O2/c26-21-19(17-8-3-1-4-9-17)20(18-10-5-2-6-11-18)25(22(21)27)14-7-13-24-15-12-23-16-24/h1,3-4,8-10,12,15-16,20,26H,2,5-7,11,13-14H2
InChIKeyHLAWWYDFZYNBJA-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.95
Rot. Bonds6

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

2-(cyclohexen-1-yl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-phenyl-2H-pyrrol-5-one (PubChem CID 25099530) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-phenyl-2H-pyrrol-5-one
PubChem CID25099530
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-(cyclohexen-1-yl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-phenyl-2H-pyrrol-5-one
SMILESO=C1C(O)=C(c2ccccc2)C(C2=CCCCC2)N1CCCn1ccnc1
InChIInChI=1S/C22H25N3O2/c26-21-19(17-8-3-1-4-9-17)20(18-10-5-2-6-11-18)25(22(21)27)14-7-13-24-15-12-23-16-24/h1,3-4,8-10,12,15-16,20,26H,2,5-7,11,13-14H2
InChIKeyHLAWWYDFZYNBJA-UHFFFAOYSA-N
XLogP3.95
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.95
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-2,3-bis(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 25099742
4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[(E)-3-methylbut-1-enyl]-3-phenyl-2H-pyrrol-5-one
CID 25099487
4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pent-1-enyl-3-phenyl-2H-pyrrol-5-one
CID 68989517
(5S)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrolidine-2,3-dione
CID 1155695
(2S)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 780369
(4E,5R)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 6548410
(2R)-3-acetyl-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(2-nitrophenyl)-2H-pyrrol-5-one
CID 1112616
(4E,5S)-5-(furan-2-yl)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 5447595
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
2-(4-butoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 4697474
(4E)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-naphthalen-2-ylpyrrolidine-2,3-dione
CID 71514901

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of 2-(cyclohexen-1-yl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-phenyl-2H-pyrrol-5-one (CID 25099530) is 2-(cyclohexen-1-yl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-(cyclohexen-1-yl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 2-(cyclohexen-1-yl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-phenyl-2H-pyrrol-5-one is O=C1C(O)=C(c2ccccc2)C(C2=CCCCC2)N1CCCn1ccnc1.
What is the InChIKey of 2-(cyclohexen-1-yl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-phenyl-2H-pyrrol-5-one?
The InChIKey is HLAWWYDFZYNBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21-19(17-8-3-1-4-9-17)20(18-10-5-2-6-11-18)25(22(21)27)14-7-13-24-15-12-23-16-24/h1,3-4,8-10,12,15-16,20,26H,2,5-7,11,13-14H2.
What are the key properties of 2-(cyclohexen-1-yl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-phenyl-2H-pyrrol-5-one?
2-(cyclohexen-1-yl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-phenyl-2H-pyrrol-5-one has a molecular weight of 363.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 25099530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).