3-[[benzhydryl(methyl)amino]methyl]-5-(3-bromo-4-fluorophenyl)imidazolidine-2,4-dione

C24H21BrFN3O2 — CID 42956347

IUPAC3-[[benzhydryl(methyl)amino]methyl]-5-(3-bromo-4-fluorophenyl)imidazolidine-2,4-dione
SMILESCN(CN1C(=O)NC(c2ccc(F)c(Br)c2)C1=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21BrFN3O2/c1-28(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)15-29-23(30)21(27-24(29)31)18-12-13-20(26)19(25)14-18/h2-14,21-22H,15H2,1H3,(H,27,31)
InChIKeyPFGNRYVKPRKWCS-UHFFFAOYSA-N
MW482.35 g/mol
LogP4.86
Rot. Bonds6

About 3-[[benzhydryl(methyl)amino]methyl]-5-(3-bromo-4-fluorophenyl)imidazolidine-2,4-dione

3-[[benzhydryl(methyl)amino]methyl]-5-(3-bromo-4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 42956347) has the molecular formula C24H21BrFN3O2 and a molecular weight of 482.35 g/mol. Its IUPAC name is 3-[[benzhydryl(methyl)amino]methyl]-5-(3-bromo-4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[benzhydryl(methyl)amino]methyl]-5-(3-bromo-4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID42956347
Molecular FormulaC24H21BrFN3O2
Molecular Weight482.35 g/mol
Exact Mass481.08
IUPAC Name3-[[benzhydryl(methyl)amino]methyl]-5-(3-bromo-4-fluorophenyl)imidazolidine-2,4-dione
SMILESCN(CN1C(=O)NC(c2ccc(F)c(Br)c2)C1=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21BrFN3O2/c1-28(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)15-29-23(30)21(27-24(29)31)18-12-13-20(26)19(25)14-18/h2-14,21-22H,15H2,1H3,(H,27,31)
InChIKeyPFGNRYVKPRKWCS-UHFFFAOYSA-N
XLogP4.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.35
LogP ≤ 54.86
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-[[benzhydryl(methyl)amino]methyl]-5-(3-bromo-4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[[benzhydryl(methyl)amino]methyl]-5-(3-bromo-4-fluorophenyl)imidazolidine-2,4-dione (CID 42956347) is 3-[[benzhydryl(methyl)amino]methyl]-5-(3-bromo-4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[benzhydryl(methyl)amino]methyl]-5-(3-bromo-4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[[benzhydryl(methyl)amino]methyl]-5-(3-bromo-4-fluorophenyl)imidazolidine-2,4-dione is CN(CN1C(=O)NC(c2ccc(F)c(Br)c2)C1=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[benzhydryl(methyl)amino]methyl]-5-(3-bromo-4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is PFGNRYVKPRKWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrFN3O2/c1-28(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)15-29-23(30)21(27-24(29)31)18-12-13-20(26)19(25)14-18/h2-14,21-22H,15H2,1H3,(H,27,31).
What are the key properties of 3-[[benzhydryl(methyl)amino]methyl]-5-(3-bromo-4-fluorophenyl)imidazolidine-2,4-dione?
3-[[benzhydryl(methyl)amino]methyl]-5-(3-bromo-4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 482.35 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzhydryl(methyl)amino]methyl]-5-(3-bromo-4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42956347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).