1-(3-chlorophenyl)-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione

C15H15ClN4O2 — CID 17324706

IUPAC1-(3-chlorophenyl)-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2cnc[nH]2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN4O2/c16-10-2-1-3-12(6-10)20-14(21)7-13(15(20)22)18-5-4-11-8-17-9-19-11/h1-3,6,8-9,13,18H,4-5,7H2,(H,17,19)
InChIKeyBSGOUTAVSXUANY-UHFFFAOYSA-N
MW318.76 g/mol
LogP1.53
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione

1-(3-chlorophenyl)-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione (PubChem CID 17324706) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione
PubChem CID17324706
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name1-(3-chlorophenyl)-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2cnc[nH]2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN4O2/c16-10-2-1-3-12(6-10)20-14(21)7-13(15(20)22)18-5-4-11-8-17-9-19-11/h1-3,6,8-9,13,18H,4-5,7H2,(H,17,19)
InChIKeyBSGOUTAVSXUANY-UHFFFAOYSA-N
XLogP1.53
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione (CID 17324706) is 1-(3-chlorophenyl)-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione is O=C1CC(NCCc2cnc[nH]2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is BSGOUTAVSXUANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c16-10-2-1-3-12(6-10)20-14(21)7-13(15(20)22)18-5-4-11-8-17-9-19-11/h1-3,6,8-9,13,18H,4-5,7H2,(H,17,19).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione?
1-(3-chlorophenyl)-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 318.76 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 17324706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).