5-(4-fluorophenyl)-3-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methylimidazolidine-2,4-dione

C23H27FN4O4 — CID 127025084

IUPAC5-(4-fluorophenyl)-3-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccccc3O)CC2)C1=O
InChIInChI=1S/C23H27FN4O4/c1-23(16-6-8-17(24)9-7-16)21(31)28(22(32)25-23)15-18(29)14-26-10-12-27(13-11-26)19-4-2-3-5-20(19)30/h2-9,18,29-30H,10-15H2,1H3,(H,25,32)
InChIKeyNGVNEHHOLPWYCA-UHFFFAOYSA-N
MW442.49 g/mol
LogP1.48
Rot. Bonds6

About 5-(4-fluorophenyl)-3-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methylimidazolidine-2,4-dione

5-(4-fluorophenyl)-3-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methylimidazolidine-2,4-dione (PubChem CID 127025084) has the molecular formula C23H27FN4O4 and a molecular weight of 442.49 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methylimidazolidine-2,4-dione
PubChem CID127025084
Molecular FormulaC23H27FN4O4
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name5-(4-fluorophenyl)-3-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccccc3O)CC2)C1=O
InChIInChI=1S/C23H27FN4O4/c1-23(16-6-8-17(24)9-7-16)21(31)28(22(32)25-23)15-18(29)14-26-10-12-27(13-11-26)19-4-2-3-5-20(19)30/h2-9,18,29-30H,10-15H2,1H3,(H,25,32)
InChIKeyNGVNEHHOLPWYCA-UHFFFAOYSA-N
XLogP1.48
TPSA96.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-fluorophenyl)-3-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methylimidazolidine-2,4-dione (CID 127025084) is 5-(4-fluorophenyl)-3-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)-3-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methylimidazolidine-2,4-dione is CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(c3ccccc3O)CC2)C1=O.
What is the InChIKey of 5-(4-fluorophenyl)-3-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is NGVNEHHOLPWYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O4/c1-23(16-6-8-17(24)9-7-16)21(31)28(22(32)25-23)15-18(29)14-26-10-12-27(13-11-26)19-4-2-3-5-20(19)30/h2-9,18,29-30H,10-15H2,1H3,(H,25,32).
What are the key properties of 5-(4-fluorophenyl)-3-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methylimidazolidine-2,4-dione?
5-(4-fluorophenyl)-3-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 442.49 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 127025084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).