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

C23H26N4O3 — CID 121437588

IUPAC(5S)-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
SMILESCc1ccccc1N1CCN(C(=O)CC[C@@]2(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)/t23-/m0/s1
InChIKeyTYWOUTWIECTKOD-QHCPKHFHSA-N
MW406.49 g/mol
LogP2.16
Rot. Bonds5

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

(5S)-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 121437588) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is (5S)-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
PubChem CID121437588
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name(5S)-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
SMILESCc1ccccc1N1CCN(C(=O)CC[C@@]2(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)/t23-/m0/s1
InChIKeyTYWOUTWIECTKOD-QHCPKHFHSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Aldumastat
CID 121448788
3,4-Difluoro-N-{2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-YL]ethyl}benzamide
CID 53393916
8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 70419
N-(1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 562745
1,3,5-Triphenylimidazolidine-2,4-dione
CID 11609579
1-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]-7-[4-(2-propan-2-ylphenyl)piperazin-1-yl]heptan-1-one
CID 118731354
2-(2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-(4-fluorophenyl)acetamide
CID 2078174
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-naphthalen-1-ylacetamide
CID 2106714
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2584000
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2708827
3-[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 3606093
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 4964169

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione (CID 121437588) is (5S)-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione is Cc1ccccc1N1CCN(C(=O)CC[C@@]2(c3ccccc3)NC(=O)NC2=O)CC1.
What is the InChIKey of (5S)-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is TYWOUTWIECTKOD-QHCPKHFHSA-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)/t23-/m0/s1.
What are the key properties of (5S)-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione?
(5S)-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 (5S)-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 121437588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).