3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione

C16H13BrN2O2 — CID 84573205

IUPAC3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)C(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C16H13BrN2O2/c17-13-8-6-11(7-9-13)10-19-15(20)14(18-16(19)21)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,18,21)
InChIKeyJTYIUQZBUVEJHU-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.24
Rot. Bonds3

About 3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione

3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 84573205) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID84573205
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)C(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C16H13BrN2O2/c17-13-8-6-11(7-9-13)10-19-15(20)14(18-16(19)21)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,18,21)
InChIKeyJTYIUQZBUVEJHU-UHFFFAOYSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,6-dichlorophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 84573203
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292
3-ethyl-5-phenylimidazolidine-2,4-dione;hydrochloride
CID 140541909
3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 82148999
3-(2-methylpropyl)-5-phenylimidazolidine-2,4-dione
CID 84571226
ethyl (6S)-3-benzyl-6-(4-bromophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 1217465
1-benzyl-3-phenylpiperazine-2,5-dione
CID 20794522
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571944
5-[(4-bromophenyl)methyl]-2-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 20896304
5-phenyl-3-(2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 84572821
(5S)-3-[(4-bromophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 40750751
1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one
CID 139259299

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione (CID 84573205) is 3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione is O=C1NC(c2ccccc2)C(=O)N1Cc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is JTYIUQZBUVEJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-13-8-6-11(7-9-13)10-19-15(20)14(18-16(19)21)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,18,21).
What are the key properties of 3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione?
3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 345.20 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 84573205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).