1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione

C21H14Br2N2O2 — CID 11851013

IUPAC1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione
SMILESO=C1C(c2ccccc2)N(c2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C21H14Br2N2O2/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,19H
InChIKeyROASQEPZAKGACK-UHFFFAOYSA-N
MW486.16 g/mol
LogP5.93
Rot. Bonds3

About 1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione

1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione (PubChem CID 11851013) has the molecular formula C21H14Br2N2O2 and a molecular weight of 486.16 g/mol. Its IUPAC name is 1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione
PubChem CID11851013
Molecular FormulaC21H14Br2N2O2
Molecular Weight486.16 g/mol
Exact Mass483.94
IUPAC Name1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione
SMILESO=C1C(c2ccccc2)N(c2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C21H14Br2N2O2/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,19H
InChIKeyROASQEPZAKGACK-UHFFFAOYSA-N
XLogP5.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.16
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triphenylimidazolidine-2,4-dione
CID 11609579
N-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 3905761
US10208071, Table 3.3
CID 2622535
1-(4-bromophenyl)-3-[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]-2,4-imidazolidinedione
CID 2228525
N-(4-bromophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2583729
3-(4-Bromo-benzoyl)-1-phenyl-2-thioxo-imidazolidin-4-one
CID 3109985
1-(1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl)-1-phenethyl-3-phenylthiourea
CID 3718852
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 3932353
N-(4-bromo-3-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7677785
1-(4-bromophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea
CID 11418989
CID 11655870
CID 11655870
(2R)-N-[(2R)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2-bromophenyl)carbamothioyl]pyrrolidine-2-carboxamide
CID 44337428

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione (CID 11851013) is 1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione is O=C1C(c2ccccc2)N(c2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of 1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione?
The InChIKey is ROASQEPZAKGACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Br2N2O2/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,19H.
What are the key properties of 1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione?
1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione has a molecular weight of 486.16 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 11851013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).