1-benzyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione

C21H22N4O3 — CID 2575629

IUPAC1-benzyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(CN2CCN(c3ccccc3)CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H22N4O3/c26-19-20(27)25(21(28)24(19)15-17-7-3-1-4-8-17)16-22-11-13-23(14-12-22)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyOKGWNAVOYIZNEJ-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.76
Rot. Bonds5

About 1-benzyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione

1-benzyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione (PubChem CID 2575629) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-benzyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-benzyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione
PubChem CID2575629
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-benzyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(CN2CCN(c3ccccc3)CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H22N4O3/c26-19-20(27)25(21(28)24(19)15-17-7-3-1-4-8-17)16-22-11-13-23(14-12-22)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyOKGWNAVOYIZNEJ-UHFFFAOYSA-N
XLogP1.76
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-benzyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione (CID 2575629) is 1-benzyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-benzyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-benzyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione is O=C1C(=O)N(CN2CCN(c3ccccc3)CC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is OKGWNAVOYIZNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-19-20(27)25(21(28)24(19)15-17-7-3-1-4-8-17)16-22-11-13-23(14-12-22)18-9-5-2-6-10-18/h1-10H,11-16H2.
What are the key properties of 1-benzyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione?
1-benzyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 378.43 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 2575629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).