5-methyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione

C23H28N4O2 — CID 46193600

IUPAC5-methyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(CCCN2CCN(c3ccccc3)CC2)C1=O
InChIInChI=1S/C23H28N4O2/c1-23(19-9-4-2-5-10-19)21(28)27(22(29)24-23)14-8-13-25-15-17-26(18-16-25)20-11-6-3-7-12-20/h2-7,9-12H,8,13-18H2,1H3,(H,24,29)
InChIKeyJMRKCZWWLQUFOJ-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.67
Rot. Bonds6

About 5-methyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione

5-methyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione (PubChem CID 46193600) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-methyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
PubChem CID46193600
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name5-methyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(CCCN2CCN(c3ccccc3)CC2)C1=O
InChIInChI=1S/C23H28N4O2/c1-23(19-9-4-2-5-10-19)21(28)27(22(29)24-23)14-8-13-25-15-17-26(18-16-25)20-11-6-3-7-12-20/h2-7,9-12H,8,13-18H2,1H3,(H,24,29)
InChIKeyJMRKCZWWLQUFOJ-UHFFFAOYSA-N
XLogP2.67
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
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-methyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione (CID 46193600) is 5-methyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione is CC1(c2ccccc2)NC(=O)N(CCCN2CCN(c3ccccc3)CC2)C1=O.
What is the InChIKey of 5-methyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is JMRKCZWWLQUFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-23(19-9-4-2-5-10-19)21(28)27(22(29)24-23)14-8-13-25-15-17-26(18-16-25)20-11-6-3-7-12-20/h2-7,9-12H,8,13-18H2,1H3,(H,24,29).
What are the key properties of 5-methyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
5-methyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 392.50 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46193600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).