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

C23H26N4O3 — CID 121437598

IUPAC5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
SMILESCc1ccccc1N1CCN(C(=O)CCC2(c3ccccc3)NC(=O)NC2=O)CC1
InChIInChI=1S/C23H26N4O3/c1-17-7-5-6-10-19(17)26-13-15-27(16-14-26)20(28)11-12-23(18-8-3-2-4-9-18)21(29)24-22(30)25-23/h2-10H,11-16H2,1H3,(H2,24,25,29,30)
InChIKeyTYWOUTWIECTKOD-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.16
Rot. Bonds5

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

5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 121437598) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
PubChem CID121437598
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
SMILESCc1ccccc1N1CCN(C(=O)CCC2(c3ccccc3)NC(=O)NC2=O)CC1
InChIInChI=1S/C23H26N4O3/c1-17-7-5-6-10-19(17)26-13-15-27(16-14-26)20(28)11-12-23(18-8-3-2-4-9-18)21(29)24-22(30)25-23/h2-10H,11-16H2,1H3,(H2,24,25,29,30)
InChIKeyTYWOUTWIECTKOD-UHFFFAOYSA-N
XLogP2.16
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 121437579
5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 110677215
5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 110677250
(5S)-5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 163640973
5-(4-chlorophenyl)-5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437904
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(4-methylsulfanylphenyl)imidazolidine-2,4-dione
CID 137468170
5-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121438005
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-[4-[(dimethylamino)methyl]phenyl]imidazolidine-2,4-dione
CID 121437807
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione
CID 121449060
2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
CID 60662805
3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 112803742

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione (CID 121437598) is 5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione is Cc1ccccc1N1CCN(C(=O)CCC2(c3ccccc3)NC(=O)NC2=O)CC1.
What is the InChIKey of 5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is TYWOUTWIECTKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-17-7-5-6-10-19(17)26-13-15-27(16-14-26)20(28)11-12-23(18-8-3-2-4-9-18)21(29)24-22(30)25-23/h2-10H,11-16H2,1H3,(H2,24,25,29,30).
What are the key properties of 5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione?
5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 406.49 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 121437598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).