(5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione

C21H23N5O3 — CID 124861250

IUPAC(5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESO=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H23N5O3/c27-19(25-12-10-24(11-13-25)18-8-4-5-9-22-18)14-17-20(28)26(21(29)23-17)15-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,23,29)/t17-/m1/s1
InChIKeyGZMPRHSNJIXZHP-QGZVFWFLSA-N
MW393.45 g/mol
LogP1.24
Rot. Bonds5

About (5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione

(5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 124861250) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is (5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
PubChem CID124861250
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name(5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESO=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H23N5O3/c27-19(25-12-10-24(11-13-25)18-8-4-5-9-22-18)14-17-20(28)26(21(29)23-17)15-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,23,29)/t17-/m1/s1
InChIKeyGZMPRHSNJIXZHP-QGZVFWFLSA-N
XLogP1.24
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-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

(5S)-3-[2-(4-methoxyphenyl)ethyl]-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 75489932
ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate
CID 91821962
3-benzyl-5-[3-oxo-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 91822559
(5R)-3-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 124862563
5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 164610328
1-(4-pyridin-2-ylpiperazin-1-yl)-2-(thian-4-yl)ethanone
CID 110854887
(3aS,7aS)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7974830
(3R)-1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]azepan-2-one
CID 164640933
2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108814544
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
1-morpholin-4-yl-2-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 175648113
(3aS,7aS)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 92543665

Frequently Asked Questions

What is the IUPAC name of (5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione (CID 124861250) is (5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione is O=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is GZMPRHSNJIXZHP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N5O3/c27-19(25-12-10-24(11-13-25)18-8-4-5-9-22-18)14-17-20(28)26(21(29)23-17)15-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,23,29)/t17-/m1/s1.
What are the key properties of (5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione?
(5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 393.45 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 124861250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).