1-benzyl-3-[3-(4-fluorophenoxy)propyl]imidazolidine-2,4,5-trione

C19H17FN2O4 — CID 33301380

IUPAC1-benzyl-3-[3-(4-fluorophenoxy)propyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(Cc2ccccc2)C(=O)N1CCCOc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O4/c20-15-7-9-16(10-8-15)26-12-4-11-21-17(23)18(24)22(19(21)25)13-14-5-2-1-3-6-14/h1-3,5-10H,4,11-13H2
InChIKeyTUSHPNFBTMARBC-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.59
Rot. Bonds7

About 1-benzyl-3-[3-(4-fluorophenoxy)propyl]imidazolidine-2,4,5-trione

1-benzyl-3-[3-(4-fluorophenoxy)propyl]imidazolidine-2,4,5-trione (PubChem CID 33301380) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-benzyl-3-[3-(4-fluorophenoxy)propyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-benzyl-3-[3-(4-fluorophenoxy)propyl]imidazolidine-2,4,5-trione
PubChem CID33301380
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name1-benzyl-3-[3-(4-fluorophenoxy)propyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(Cc2ccccc2)C(=O)N1CCCOc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O4/c20-15-7-9-16(10-8-15)26-12-4-11-21-17(23)18(24)22(19(21)25)13-14-5-2-1-3-6-14/h1-3,5-10H,4,11-13H2
InChIKeyTUSHPNFBTMARBC-UHFFFAOYSA-N
XLogP2.59
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-(4-fluorophenoxy)propyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-benzyl-3-[3-(4-fluorophenoxy)propyl]imidazolidine-2,4,5-trione (CID 33301380) is 1-benzyl-3-[3-(4-fluorophenoxy)propyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-benzyl-3-[3-(4-fluorophenoxy)propyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-benzyl-3-[3-(4-fluorophenoxy)propyl]imidazolidine-2,4,5-trione is O=C1C(=O)N(Cc2ccccc2)C(=O)N1CCCOc1ccc(F)cc1.
What is the InChIKey of 1-benzyl-3-[3-(4-fluorophenoxy)propyl]imidazolidine-2,4,5-trione?
The InChIKey is TUSHPNFBTMARBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c20-15-7-9-16(10-8-15)26-12-4-11-21-17(23)18(24)22(19(21)25)13-14-5-2-1-3-6-14/h1-3,5-10H,4,11-13H2.
What are the key properties of 1-benzyl-3-[3-(4-fluorophenoxy)propyl]imidazolidine-2,4,5-trione?
1-benzyl-3-[3-(4-fluorophenoxy)propyl]imidazolidine-2,4,5-trione has a molecular weight of 356.35 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-(4-fluorophenoxy)propyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 33301380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).