5-(2-chloro-4-piperazin-1-ylphenyl)imidazolidine-2,4-dione

C13H15ClN4O2 — CID 70596470

IUPAC5-(2-chloro-4-piperazin-1-ylphenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccc(N3CCNCC3)cc2Cl)N1
InChIInChI=1S/C13H15ClN4O2/c14-10-7-8(18-5-3-15-4-6-18)1-2-9(10)11-12(19)17-13(20)16-11/h1-2,7,11,15H,3-6H2,(H2,16,17,19,20)
InChIKeyYELVGEHHBAQRPQ-UHFFFAOYSA-N
MW294.74 g/mol
LogP0.63
Rot. Bonds2

About 5-(2-chloro-4-piperazin-1-ylphenyl)imidazolidine-2,4-dione

5-(2-chloro-4-piperazin-1-ylphenyl)imidazolidine-2,4-dione (PubChem CID 70596470) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 5-(2-chloro-4-piperazin-1-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-chloro-4-piperazin-1-ylphenyl)imidazolidine-2,4-dione
PubChem CID70596470
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name5-(2-chloro-4-piperazin-1-ylphenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccc(N3CCNCC3)cc2Cl)N1
InChIInChI=1S/C13H15ClN4O2/c14-10-7-8(18-5-3-15-4-6-18)1-2-9(10)11-12(19)17-13(20)16-11/h1-2,7,11,15H,3-6H2,(H2,16,17,19,20)
InChIKeyYELVGEHHBAQRPQ-UHFFFAOYSA-N
XLogP0.63
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 50.63
H-Bond Donors ≤ 53
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-(2-chloro-4-piperazin-1-ylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(2-chloro-4-piperazin-1-ylphenyl)imidazolidine-2,4-dione (CID 70596470) is 5-(2-chloro-4-piperazin-1-ylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-chloro-4-piperazin-1-ylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(2-chloro-4-piperazin-1-ylphenyl)imidazolidine-2,4-dione is O=C1NC(=O)C(c2ccc(N3CCNCC3)cc2Cl)N1.
What is the InChIKey of 5-(2-chloro-4-piperazin-1-ylphenyl)imidazolidine-2,4-dione?
The InChIKey is YELVGEHHBAQRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c14-10-7-8(18-5-3-15-4-6-18)1-2-9(10)11-12(19)17-13(20)16-11/h1-2,7,11,15H,3-6H2,(H2,16,17,19,20).
What are the key properties of 5-(2-chloro-4-piperazin-1-ylphenyl)imidazolidine-2,4-dione?
5-(2-chloro-4-piperazin-1-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 294.74 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-piperazin-1-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 70596470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).