5,5-dibenzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione

C28H29FN4O2 — CID 4882223

IUPAC5,5-dibenzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C28H29FN4O2/c29-24-13-7-8-14-25(24)32-17-15-31(16-18-32)21-33-26(34)28(30-27(33)35,19-22-9-3-1-4-10-22)20-23-11-5-2-6-12-23/h1-14H,15-21H2,(H,30,35)
InChIKeyLWYPTLPVWSXUGA-UHFFFAOYSA-N
MW472.56 g/mol
LogP3.68
Rot. Bonds7

About 5,5-dibenzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione

5,5-dibenzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione (PubChem CID 4882223) has the molecular formula C28H29FN4O2 and a molecular weight of 472.56 g/mol. Its IUPAC name is 5,5-dibenzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dibenzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
PubChem CID4882223
Molecular FormulaC28H29FN4O2
Molecular Weight472.56 g/mol
Exact Mass472.23
IUPAC Name5,5-dibenzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C28H29FN4O2/c29-24-13-7-8-14-25(24)32-17-15-31(16-18-32)21-33-26(34)28(30-27(33)35,19-22-9-3-1-4-10-22)20-23-11-5-2-6-12-23/h1-14H,15-21H2,(H,30,35)
InChIKeyLWYPTLPVWSXUGA-UHFFFAOYSA-N
XLogP3.68
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 26937799
3-benzyl-1-[5-[4-(2-fluorophenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione
CID 90654844
1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
CID 26491115
1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 18078344
3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 47005605
1-[[1-(bromomethyl)cyclopropyl]methyl]-4-(2-fluorophenyl)piperazine
CID 65013429
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone
CID 51363004
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-phenylethanesulfonamide
CID 42389017
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
CID 31384492
6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]morpholin-3-one
CID 171700802
(5R)-5-benzyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 51684122

Frequently Asked Questions

What is the IUPAC name of 5,5-dibenzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dibenzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione (CID 4882223) is 5,5-dibenzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dibenzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dibenzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione is O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 5,5-dibenzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is LWYPTLPVWSXUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O2/c29-24-13-7-8-14-25(24)32-17-15-31(16-18-32)21-33-26(34)28(30-27(33)35,19-22-9-3-1-4-10-22)20-23-11-5-2-6-12-23/h1-14H,15-21H2,(H,30,35).
What are the key properties of 5,5-dibenzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
5,5-dibenzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 472.56 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibenzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 4882223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).