5-(2,5-dimethylfuran-3-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methylimidazolidine-2,4-dione

C18H19FN2O4 — CID 51106577

IUPAC5-(2,5-dimethylfuran-3-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C2(C)NC(=O)N(CC(O)c3ccccc3F)C2=O)c(C)o1
InChIInChI=1S/C18H19FN2O4/c1-10-8-13(11(2)25-10)18(3)16(23)21(17(24)20-18)9-15(22)12-6-4-5-7-14(12)19/h4-8,15,22H,9H2,1-3H3,(H,20,24)
InChIKeyCMTXBQCLDCUARA-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.54
Rot. Bonds4

About 5-(2,5-dimethylfuran-3-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methylimidazolidine-2,4-dione

5-(2,5-dimethylfuran-3-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 51106577) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 5-(2,5-dimethylfuran-3-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,5-dimethylfuran-3-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methylimidazolidine-2,4-dione
PubChem CID51106577
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name5-(2,5-dimethylfuran-3-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C2(C)NC(=O)N(CC(O)c3ccccc3F)C2=O)c(C)o1
InChIInChI=1S/C18H19FN2O4/c1-10-8-13(11(2)25-10)18(3)16(23)21(17(24)20-18)9-15(22)12-6-4-5-7-14(12)19/h4-8,15,22H,9H2,1-3H3,(H,20,24)
InChIKeyCMTXBQCLDCUARA-UHFFFAOYSA-N
XLogP2.54
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.54
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-(2,5-dimethylfuran-3-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(2,5-dimethylfuran-3-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methylimidazolidine-2,4-dione (CID 51106577) is 5-(2,5-dimethylfuran-3-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,5-dimethylfuran-3-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2,5-dimethylfuran-3-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methylimidazolidine-2,4-dione is Cc1cc(C2(C)NC(=O)N(CC(O)c3ccccc3F)C2=O)c(C)o1.
What is the InChIKey of 5-(2,5-dimethylfuran-3-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is CMTXBQCLDCUARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-10-8-13(11(2)25-10)18(3)16(23)21(17(24)20-18)9-15(22)12-6-4-5-7-14(12)19/h4-8,15,22H,9H2,1-3H3,(H,20,24).
What are the key properties of 5-(2,5-dimethylfuran-3-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methylimidazolidine-2,4-dione?
5-(2,5-dimethylfuran-3-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 346.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylfuran-3-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 51106577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).