3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

C23H26ClFN4O3 — CID 127028471

IUPAC3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccccc3Cl)CC2)C1=O
InChIInChI=1S/C23H26ClFN4O3/c1-23(16-6-8-17(25)9-7-16)21(31)29(22(32)26-23)15-18(30)14-27-10-12-28(13-11-27)20-5-3-2-4-19(20)24/h2-9,18,30H,10-15H2,1H3,(H,26,32)
InChIKeySPPVESMPRIELSS-UHFFFAOYSA-N
MW460.94 g/mol
LogP2.43
Rot. Bonds6

About 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 127028471) has the molecular formula C23H26ClFN4O3 and a molecular weight of 460.94 g/mol. Its IUPAC name is 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID127028471
Molecular FormulaC23H26ClFN4O3
Molecular Weight460.94 g/mol
Exact Mass460.17
IUPAC Name3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccccc3Cl)CC2)C1=O
InChIInChI=1S/C23H26ClFN4O3/c1-23(16-6-8-17(25)9-7-16)21(31)29(22(32)26-23)15-18(30)14-27-10-12-28(13-11-27)20-5-3-2-4-19(20)24/h2-9,18,30H,10-15H2,1H3,(H,26,32)
InChIKeySPPVESMPRIELSS-UHFFFAOYSA-N
XLogP2.43
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-(4-fluorophenyl)-5-methylimidazolidine-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 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (CID 127028471) is 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccccc3Cl)CC2)C1=O.
What is the InChIKey of 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is SPPVESMPRIELSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN4O3/c1-23(16-6-8-17(25)9-7-16)21(31)29(22(32)26-23)15-18(30)14-27-10-12-28(13-11-27)20-5-3-2-4-19(20)24/h2-9,18,30H,10-15H2,1H3,(H,26,32).
What are the key properties of 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 460.94 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 127028471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).