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

C18H25FN2O4 — CID 18086967

IUPAC5-butyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
SMILESCCCCC1(C)NC(=O)N(CC(O)COCc2ccccc2F)C1=O
InChIInChI=1S/C18H25FN2O4/c1-3-4-9-18(2)16(23)21(17(24)20-18)10-14(22)12-25-11-13-7-5-6-8-15(13)19/h5-8,14,22H,3-4,9-12H2,1-2H3,(H,20,24)
InChIKeyBOKFUJAGAPQFDD-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.20
Rot. Bonds9

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

5-butyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 18086967) has the molecular formula C18H25FN2O4 and a molecular weight of 352.41 g/mol. Its IUPAC name is 5-butyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-butyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
PubChem CID18086967
Molecular FormulaC18H25FN2O4
Molecular Weight352.41 g/mol
Exact Mass352.18
IUPAC Name5-butyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
SMILESCCCCC1(C)NC(=O)N(CC(O)COCc2ccccc2F)C1=O
InChIInChI=1S/C18H25FN2O4/c1-3-4-9-18(2)16(23)21(17(24)20-18)10-14(22)12-25-11-13-7-5-6-8-15(13)19/h5-8,14,22H,3-4,9-12H2,1-2H3,(H,20,24)
InChIKeyBOKFUJAGAPQFDD-UHFFFAOYSA-N
XLogP2.20
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.20
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-butyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-butyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione (CID 18086967) is 5-butyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-butyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-butyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione is CCCCC1(C)NC(=O)N(CC(O)COCc2ccccc2F)C1=O.
What is the InChIKey of 5-butyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is BOKFUJAGAPQFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O4/c1-3-4-9-18(2)16(23)21(17(24)20-18)10-14(22)12-25-11-13-7-5-6-8-15(13)19/h5-8,14,22H,3-4,9-12H2,1-2H3,(H,20,24).
What are the key properties of 5-butyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
5-butyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 352.41 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 18086967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).