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

C17H21FN2O4 — CID 18086910

IUPAC5-cyclopropyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CC2)NC(=O)N(CC(O)COCc2ccccc2F)C1=O
InChIInChI=1S/C17H21FN2O4/c1-17(12-6-7-12)15(22)20(16(23)19-17)8-13(21)10-24-9-11-4-2-3-5-14(11)18/h2-5,12-13,21H,6-10H2,1H3,(H,19,23)
InChIKeyDCCFKBXZJLOBHK-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.42
Rot. Bonds7

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

5-cyclopropyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 18086910) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is 5-cyclopropyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
PubChem CID18086910
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Name5-cyclopropyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CC2)NC(=O)N(CC(O)COCc2ccccc2F)C1=O
InChIInChI=1S/C17H21FN2O4/c1-17(12-6-7-12)15(22)20(16(23)19-17)8-13(21)10-24-9-11-4-2-3-5-14(11)18/h2-5,12-13,21H,6-10H2,1H3,(H,19,23)
InChIKeyDCCFKBXZJLOBHK-UHFFFAOYSA-N
XLogP1.42
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclopropyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione (CID 18086910) is 5-cyclopropyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione is CC1(C2CC2)NC(=O)N(CC(O)COCc2ccccc2F)C1=O.
What is the InChIKey of 5-cyclopropyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is DCCFKBXZJLOBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4/c1-17(12-6-7-12)15(22)20(16(23)19-17)8-13(21)10-24-9-11-4-2-3-5-14(11)18/h2-5,12-13,21H,6-10H2,1H3,(H,19,23).
What are the key properties of 5-cyclopropyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
5-cyclopropyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 336.36 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-cyclopropyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 18086910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).