1-benzyl-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-phenylimidazolidine-2,4-dione

C26H21FN4O2 — CID 56505138

IUPAC1-benzyl-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1C(c2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C26H21FN4O2/c27-21-12-7-13-23(16-21)31-15-14-22(28-31)18-30-25(32)24(20-10-5-2-6-11-20)29(26(30)33)17-19-8-3-1-4-9-19/h1-16,24H,17-18H2
InChIKeySKQBJMGVHMYKAL-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.72
Rot. Bonds6

About 1-benzyl-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-phenylimidazolidine-2,4-dione

1-benzyl-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 56505138) has the molecular formula C26H21FN4O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is 1-benzyl-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID56505138
Molecular FormulaC26H21FN4O2
Molecular Weight440.48 g/mol
Exact Mass440.16
IUPAC Name1-benzyl-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1C(c2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C26H21FN4O2/c27-21-12-7-13-23(16-21)31-15-14-22(28-31)18-30-25(32)24(20-10-5-2-6-11-20)29(26(30)33)17-19-8-3-1-4-9-19/h1-16,24H,17-18H2
InChIKeySKQBJMGVHMYKAL-UHFFFAOYSA-N
XLogP4.72
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
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 1-benzyl-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 1-benzyl-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-phenylimidazolidine-2,4-dione (CID 56505138) is 1-benzyl-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1-benzyl-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-phenylimidazolidine-2,4-dione is O=C1C(c2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of 1-benzyl-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is SKQBJMGVHMYKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O2/c27-21-12-7-13-23(16-21)31-15-14-22(28-31)18-30-25(32)24(20-10-5-2-6-11-20)29(26(30)33)17-19-8-3-1-4-9-19/h1-16,24H,17-18H2.
What are the key properties of 1-benzyl-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-phenylimidazolidine-2,4-dione?
1-benzyl-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 440.48 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 56505138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).