3-(1,3-dihydro-2-benzofuran-5-ylmethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione

C20H19FN2O3 — CID 146087833

IUPAC3-(1,3-dihydro-2-benzofuran-5-ylmethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(Cc2ccc3c(c2)COC3)C1=O
InChIInChI=1S/C20H19FN2O3/c1-2-20(16-5-7-17(21)8-6-16)18(24)23(19(25)22-20)10-13-3-4-14-11-26-12-15(14)9-13/h3-9H,2,10-12H2,1H3,(H,22,25)
InChIKeyLYBQKDPLRFQSDL-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.21
Rot. Bonds4

About 3-(1,3-dihydro-2-benzofuran-5-ylmethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione

3-(1,3-dihydro-2-benzofuran-5-ylmethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 146087833) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 3-(1,3-dihydro-2-benzofuran-5-ylmethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1,3-dihydro-2-benzofuran-5-ylmethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID146087833
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name3-(1,3-dihydro-2-benzofuran-5-ylmethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(Cc2ccc3c(c2)COC3)C1=O
InChIInChI=1S/C20H19FN2O3/c1-2-20(16-5-7-17(21)8-6-16)18(24)23(19(25)22-20)10-13-3-4-14-11-26-12-15(14)9-13/h3-9H,2,10-12H2,1H3,(H,22,25)
InChIKeyLYBQKDPLRFQSDL-UHFFFAOYSA-N
XLogP3.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-ylmethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-ylmethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 146087833) is 3-(1,3-dihydro-2-benzofuran-5-ylmethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(1,3-dihydro-2-benzofuran-5-ylmethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(1,3-dihydro-2-benzofuran-5-ylmethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione is CCC1(c2ccc(F)cc2)NC(=O)N(Cc2ccc3c(c2)COC3)C1=O.
What is the InChIKey of 3-(1,3-dihydro-2-benzofuran-5-ylmethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is LYBQKDPLRFQSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-2-20(16-5-7-17(21)8-6-16)18(24)23(19(25)22-20)10-13-3-4-14-11-26-12-15(14)9-13/h3-9H,2,10-12H2,1H3,(H,22,25).
What are the key properties of 3-(1,3-dihydro-2-benzofuran-5-ylmethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
3-(1,3-dihydro-2-benzofuran-5-ylmethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 354.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydro-2-benzofuran-5-ylmethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 146087833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).