5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione

C22H23ClN4O3 — CID 121437768

IUPAC5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)(c2ccccc2)N1
InChIInChI=1S/C22H23ClN4O3/c23-17-7-4-8-18(15-17)26-11-13-27(14-12-26)19(28)9-10-22(16-5-2-1-3-6-16)20(29)24-21(30)25-22/h1-8,15H,9-14H2,(H2,24,25,29,30)
InChIKeyBLPSVYQVAGCHMF-UHFFFAOYSA-N
MW426.90 g/mol
LogP2.50
Rot. Bonds5

About 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione

5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 121437768) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
PubChem CID121437768
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)(c2ccccc2)N1
InChIInChI=1S/C22H23ClN4O3/c23-17-7-4-8-18(15-17)26-11-13-27(14-12-26)19(28)9-10-22(16-5-2-1-3-6-16)20(29)24-21(30)25-22/h1-8,15H,9-14H2,(H2,24,25,29,30)
InChIKeyBLPSVYQVAGCHMF-UHFFFAOYSA-N
XLogP2.50
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione (CID 121437768) is 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione is O=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)(c2ccccc2)N1.
What is the InChIKey of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is BLPSVYQVAGCHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c23-17-7-4-8-18(15-17)26-11-13-27(14-12-26)19(28)9-10-22(16-5-2-1-3-6-16)20(29)24-21(30)25-22/h1-8,15H,9-14H2,(H2,24,25,29,30).
What are the key properties of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione?
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 426.90 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 121437768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).