5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-pentylpyrrolidine-2,3-dione

C17H27N3O4 — CID 123156683

IUPAC5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-pentylpyrrolidine-2,3-dione
SMILESCCCCCC1C(=O)C(=O)N(CCCn2ccnc2)C1C(O)CO
InChIInChI=1S/C17H27N3O4/c1-2-3-4-6-13-15(14(22)11-21)20(17(24)16(13)23)9-5-8-19-10-7-18-12-19/h7,10,12-15,21-22H,2-6,8-9,11H2,1H3
InChIKeyPURWCWLLUPSHIF-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.60
Rot. Bonds10

About 5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-pentylpyrrolidine-2,3-dione

5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-pentylpyrrolidine-2,3-dione (PubChem CID 123156683) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-pentylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-pentylpyrrolidine-2,3-dione
PubChem CID123156683
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-pentylpyrrolidine-2,3-dione
SMILESCCCCCC1C(=O)C(=O)N(CCCn2ccnc2)C1C(O)CO
InChIInChI=1S/C17H27N3O4/c1-2-3-4-6-13-15(14(22)11-21)20(17(24)16(13)23)9-5-8-19-10-7-18-12-19/h7,10,12-15,21-22H,2-6,8-9,11H2,1H3
InChIKeyPURWCWLLUPSHIF-UHFFFAOYSA-N
XLogP0.60
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-imidazol-1-ylpropyl)-5-methyl-4-pentylpyrrolidine-2,3-dione
CID 123749269
1-(3-imidazol-1-ylpropyl)-4-pentyl-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 90909335
5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione
CID 123587198
4-ethyl-1-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 123225684
carbonic acid;1-dodecylimidazole
CID 175596781
2-(4-imidazol-1-ylbutyl)heptan-1-ol
CID 174409520
(5S)-1-imidazol-1-yldecan-5-ol
CID 118890121
acetic acid;1-decylimidazole
CID 175546754
fluoroboronic acid;bis(1-pentylimidazole)
CID 173201251
1-nonylimidazole;hydrobromide
CID 175434544
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
5-(3-chlorophenyl)-4-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 123888651

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-pentylpyrrolidine-2,3-dione?
The IUPAC name of 5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-pentylpyrrolidine-2,3-dione (CID 123156683) is 5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-pentylpyrrolidine-2,3-dione.
What is the SMILES notation for 5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-pentylpyrrolidine-2,3-dione?
The canonical SMILES for 5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-pentylpyrrolidine-2,3-dione is CCCCCC1C(=O)C(=O)N(CCCn2ccnc2)C1C(O)CO.
What is the InChIKey of 5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-pentylpyrrolidine-2,3-dione?
The InChIKey is PURWCWLLUPSHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-2-3-4-6-13-15(14(22)11-21)20(17(24)16(13)23)9-5-8-19-10-7-18-12-19/h7,10,12-15,21-22H,2-6,8-9,11H2,1H3.
What are the key properties of 5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-pentylpyrrolidine-2,3-dione?
5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-pentylpyrrolidine-2,3-dione has a molecular weight of 337.42 g/mol, XLogP of 0.60, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-pentylpyrrolidine-2,3-dione is sourced from PubChem (CID 123156683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).