5-(4-chlorophenyl)-5-cyclopropyl-3-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione

C25H29ClN4O2 — CID 56662757

IUPAC5-(4-chlorophenyl)-5-cyclopropyl-3-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESCC(c1ccccc1)N1CCN(CN2C(=O)NC(c3ccc(Cl)cc3)(C3CC3)C2=O)CC1
InChIInChI=1S/C25H29ClN4O2/c1-18(19-5-3-2-4-6-19)29-15-13-28(14-16-29)17-30-23(31)25(20-7-8-20,27-24(30)32)21-9-11-22(26)12-10-21/h2-6,9-12,18,20H,7-8,13-17H2,1H3,(H,27,32)
InChIKeyZEDYPNRLVKAYJP-UHFFFAOYSA-N
MW452.99 g/mol
LogP3.83
Rot. Bonds6

About 5-(4-chlorophenyl)-5-cyclopropyl-3-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione

5-(4-chlorophenyl)-5-cyclopropyl-3-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione (PubChem CID 56662757) has the molecular formula C25H29ClN4O2 and a molecular weight of 452.99 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-5-cyclopropyl-3-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-5-cyclopropyl-3-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
PubChem CID56662757
Molecular FormulaC25H29ClN4O2
Molecular Weight452.99 g/mol
Exact Mass452.20
IUPAC Name5-(4-chlorophenyl)-5-cyclopropyl-3-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESCC(c1ccccc1)N1CCN(CN2C(=O)NC(c3ccc(Cl)cc3)(C3CC3)C2=O)CC1
InChIInChI=1S/C25H29ClN4O2/c1-18(19-5-3-2-4-6-19)29-15-13-28(14-16-29)17-30-23(31)25(20-7-8-20,27-24(30)32)21-9-11-22(26)12-10-21/h2-6,9-12,18,20H,7-8,13-17H2,1H3,(H,27,32)
InChIKeyZEDYPNRLVKAYJP-UHFFFAOYSA-N
XLogP3.83
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.99
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-chlorophenyl)-5-cyclopropyl-3-[[4-(1-phenylethyl)piperazin-1-yl]methyl]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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-5-cyclopropyl-3-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-chlorophenyl)-5-cyclopropyl-3-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione (CID 56662757) is 5-(4-chlorophenyl)-5-cyclopropyl-3-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-5-cyclopropyl-3-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-chlorophenyl)-5-cyclopropyl-3-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione is CC(c1ccccc1)N1CCN(CN2C(=O)NC(c3ccc(Cl)cc3)(C3CC3)C2=O)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-5-cyclopropyl-3-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is ZEDYPNRLVKAYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O2/c1-18(19-5-3-2-4-6-19)29-15-13-28(14-16-29)17-30-23(31)25(20-7-8-20,27-24(30)32)21-9-11-22(26)12-10-21/h2-6,9-12,18,20H,7-8,13-17H2,1H3,(H,27,32).
What are the key properties of 5-(4-chlorophenyl)-5-cyclopropyl-3-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
5-(4-chlorophenyl)-5-cyclopropyl-3-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 452.99 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-5-cyclopropyl-3-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56662757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).