1-(3-imidazol-1-ylpropyl)-5-(2-phenylethenyl)-4-propan-2-ylpyrrolidine-2,3-dione

C21H25N3O2 — CID 123573446

IUPAC1-(3-imidazol-1-ylpropyl)-5-(2-phenylethenyl)-4-propan-2-ylpyrrolidine-2,3-dione
SMILESCC(C)C1C(=O)C(=O)N(CCCn2ccnc2)C1C=Cc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-16(2)19-18(10-9-17-7-4-3-5-8-17)24(21(26)20(19)25)13-6-12-23-14-11-22-15-23/h3-5,7-11,14-16,18-19H,6,12-13H2,1-2H3
InChIKeyOBLRGGGTCLXJOU-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.04
Rot. Bonds7

About 1-(3-imidazol-1-ylpropyl)-5-(2-phenylethenyl)-4-propan-2-ylpyrrolidine-2,3-dione

1-(3-imidazol-1-ylpropyl)-5-(2-phenylethenyl)-4-propan-2-ylpyrrolidine-2,3-dione (PubChem CID 123573446) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-5-(2-phenylethenyl)-4-propan-2-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-5-(2-phenylethenyl)-4-propan-2-ylpyrrolidine-2,3-dione
PubChem CID123573446
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-(3-imidazol-1-ylpropyl)-5-(2-phenylethenyl)-4-propan-2-ylpyrrolidine-2,3-dione
SMILESCC(C)C1C(=O)C(=O)N(CCCn2ccnc2)C1C=Cc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-16(2)19-18(10-9-17-7-4-3-5-8-17)24(21(26)20(19)25)13-6-12-23-14-11-22-15-23/h3-5,7-11,14-16,18-19H,6,12-13H2,1-2H3
InChIKeyOBLRGGGTCLXJOU-UHFFFAOYSA-N
XLogP3.04
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrolidine-2,3-dione
CID 123435016
(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-[(E)-2-phenylethenyl]pyrrolidine-2,3-dione
CID 126477674
4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[(E)-3-methylbut-1-enyl]-3-phenyl-2H-pyrrol-5-one
CID 25099487
1-(3-imidazol-1-ylpropyl)-5-methyl-4-pentylpyrrolidine-2,3-dione
CID 123749269
1-imidazol-1-yl-4-phenylbut-3-en-2-one
CID 54468308
1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole
CID 67859856
4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pent-1-enyl-3-phenyl-2H-pyrrol-5-one
CID 68989517
1-(3-imidazol-1-ylpropyl)-4-methyl-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 123671110
2-(4-butoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 4697474
1-(3-imidazol-1-ylpropyl)-4,5-bis(1H-indol-3-yl)pyrrolidine-2,3-dione
CID 123857939
(2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 95311627
4-ethyl-1-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 123225684

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-5-(2-phenylethenyl)-4-propan-2-ylpyrrolidine-2,3-dione?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-5-(2-phenylethenyl)-4-propan-2-ylpyrrolidine-2,3-dione (CID 123573446) is 1-(3-imidazol-1-ylpropyl)-5-(2-phenylethenyl)-4-propan-2-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-5-(2-phenylethenyl)-4-propan-2-ylpyrrolidine-2,3-dione?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-5-(2-phenylethenyl)-4-propan-2-ylpyrrolidine-2,3-dione is CC(C)C1C(=O)C(=O)N(CCCn2ccnc2)C1C=Cc1ccccc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-5-(2-phenylethenyl)-4-propan-2-ylpyrrolidine-2,3-dione?
The InChIKey is OBLRGGGTCLXJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16(2)19-18(10-9-17-7-4-3-5-8-17)24(21(26)20(19)25)13-6-12-23-14-11-22-15-23/h3-5,7-11,14-16,18-19H,6,12-13H2,1-2H3.
What are the key properties of 1-(3-imidazol-1-ylpropyl)-5-(2-phenylethenyl)-4-propan-2-ylpyrrolidine-2,3-dione?
1-(3-imidazol-1-ylpropyl)-5-(2-phenylethenyl)-4-propan-2-ylpyrrolidine-2,3-dione has a molecular weight of 351.45 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-5-(2-phenylethenyl)-4-propan-2-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 123573446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).