5-ethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione

C16H21FN2O4 — CID 18086953

IUPAC5-ethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(CC(O)COCc2ccccc2F)C1=O
InChIInChI=1S/C16H21FN2O4/c1-3-16(2)14(21)19(15(22)18-16)8-12(20)10-23-9-11-6-4-5-7-13(11)17/h4-7,12,20H,3,8-10H2,1-2H3,(H,18,22)
InChIKeyZZAYEPXQESTKPU-UHFFFAOYSA-N
MW324.35 g/mol
LogP1.42
Rot. Bonds7

About 5-ethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione

5-ethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 18086953) has the molecular formula C16H21FN2O4 and a molecular weight of 324.35 g/mol. Its IUPAC name is 5-ethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
PubChem CID18086953
Molecular FormulaC16H21FN2O4
Molecular Weight324.35 g/mol
Exact Mass324.15
IUPAC Name5-ethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(CC(O)COCc2ccccc2F)C1=O
InChIInChI=1S/C16H21FN2O4/c1-3-16(2)14(21)19(15(22)18-16)8-12(20)10-23-9-11-6-4-5-7-13(11)17/h4-7,12,20H,3,8-10H2,1-2H3,(H,18,22)
InChIKeyZZAYEPXQESTKPU-UHFFFAOYSA-N
XLogP1.42
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-ethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-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 5-ethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione (CID 18086953) is 5-ethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione is CCC1(C)NC(=O)N(CC(O)COCc2ccccc2F)C1=O.
What is the InChIKey of 5-ethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is ZZAYEPXQESTKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O4/c1-3-16(2)14(21)19(15(22)18-16)8-12(20)10-23-9-11-6-4-5-7-13(11)17/h4-7,12,20H,3,8-10H2,1-2H3,(H,18,22).
What are the key properties of 5-ethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
5-ethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 324.35 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 18086953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).