3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione

C21H19FN4O2 — CID 143823513

IUPAC3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione
SMILESCc1ccc(-c2cnc(C(Cc3ccccc3)N3C(=O)CNC3=O)[nH]2)c(F)c1
InChIInChI=1S/C21H19FN4O2/c1-13-7-8-15(16(22)9-13)17-11-23-20(25-17)18(10-14-5-3-2-4-6-14)26-19(27)12-24-21(26)28/h2-9,11,18H,10,12H2,1H3,(H,23,25)(H,24,28)
InChIKeyRGUWFWDCQCIXFZ-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.36
Rot. Bonds5

About 3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione

3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione (PubChem CID 143823513) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione
PubChem CID143823513
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione
SMILESCc1ccc(-c2cnc(C(Cc3ccccc3)N3C(=O)CNC3=O)[nH]2)c(F)c1
InChIInChI=1S/C21H19FN4O2/c1-13-7-8-15(16(22)9-13)17-11-23-20(25-17)18(10-14-5-3-2-4-6-14)26-19(27)12-24-21(26)28/h2-9,11,18H,10,12H2,1H3,(H,23,25)(H,24,28)
InChIKeyRGUWFWDCQCIXFZ-UHFFFAOYSA-N
XLogP3.36
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
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-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione (CID 143823513) is 3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione is Cc1ccc(-c2cnc(C(Cc3ccccc3)N3C(=O)CNC3=O)[nH]2)c(F)c1.
What is the InChIKey of 3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione?
The InChIKey is RGUWFWDCQCIXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-13-7-8-15(16(22)9-13)17-11-23-20(25-17)18(10-14-5-3-2-4-6-14)26-19(27)12-24-21(26)28/h2-9,11,18H,10,12H2,1H3,(H,23,25)(H,24,28).
What are the key properties of 3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione?
3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione has a molecular weight of 378.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143823513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).