3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione

C15H16N4O2 — CID 61325731

IUPAC3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(NCCn2ccnc2)C(=O)N1c1ccccc1
InChIInChI=1S/C15H16N4O2/c20-14-10-13(17-7-9-18-8-6-16-11-18)15(21)19(14)12-4-2-1-3-5-12/h1-6,8,11,13,17H,7,9-10H2
InChIKeyXFZAMNLXRKJWCK-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.80
Rot. Bonds5

About 3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione

3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione (PubChem CID 61325731) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione
PubChem CID61325731
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(NCCn2ccnc2)C(=O)N1c1ccccc1
InChIInChI=1S/C15H16N4O2/c20-14-10-13(17-7-9-18-8-6-16-11-18)15(21)19(14)12-4-2-1-3-5-12/h1-6,8,11,13,17H,7,9-10H2
InChIKeyXFZAMNLXRKJWCK-UHFFFAOYSA-N
XLogP0.80
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropylamino)pyrrolidine-2,5-dione
CID 98678423
1-phenyl-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione
CID 61459850
3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione
CID 61326141
3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione
CID 43637577
1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride
CID 53440488
3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid
CID 51602829
3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 3135049
3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 82873070
(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 708153
3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 106397819
1-phenyl-3-(2-phenylhydrazinyl)pyrrolidine-2,5-dione
CID 3731496
(3R)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820410

Frequently Asked Questions

What is the IUPAC name of 3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione (CID 61325731) is 3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione is O=C1CC(NCCn2ccnc2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is XFZAMNLXRKJWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-14-10-13(17-7-9-18-8-6-16-11-18)15(21)19(14)12-4-2-1-3-5-12/h1-6,8,11,13,17H,7,9-10H2.
What are the key properties of 3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione?
3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 284.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 61325731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).