1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione

C10H7BrN2O3 — CID 61410415

IUPAC1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(Cc2cccc(Br)c2)C1=O
InChIInChI=1S/C10H7BrN2O3/c11-7-3-1-2-6(4-7)5-13-9(15)8(14)12-10(13)16/h1-4H,5H2,(H,12,14,16)
InChIKeyKFYSXTWRAYGHTR-UHFFFAOYSA-N
MW283.08 g/mol
LogP1.03
Rot. Bonds2

About 1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione

1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione (PubChem CID 61410415) has the molecular formula C10H7BrN2O3 and a molecular weight of 283.08 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione
PubChem CID61410415
Molecular FormulaC10H7BrN2O3
Molecular Weight283.08 g/mol
Exact Mass281.96
IUPAC Name1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(Cc2cccc(Br)c2)C1=O
InChIInChI=1S/C10H7BrN2O3/c11-7-3-1-2-6(4-7)5-13-9(15)8(14)12-10(13)16/h1-4H,5H2,(H,12,14,16)
InChIKeyKFYSXTWRAYGHTR-UHFFFAOYSA-N
XLogP1.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-bromophenyl)methyl]pyrrole-2,5-dione
CID 60976377
3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47094861
2-[(3-bromophenyl)methyl]-5,6-difluoroisoindole-1,3-dione
CID 60774167
8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione
CID 60976541
1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 59017825
1-[(3-bromophenyl)methyl]azepane-2,7-dione
CID 60976376
1-[(3,4-difluorophenyl)methyl]imidazolidine-2,4,5-trione
CID 54965624
2-[3-[(3-bromophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid
CID 10807143
1-[(4-ethylphenyl)methyl]imidazolidine-2,4,5-trione
CID 106900584
1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one
CID 63459019
1-[(3-bromophenyl)methyl]-4,6-dimethylindole-2,3-dione
CID 61354961
1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione
CID 61355930

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione (CID 61410415) is 1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione is O=C1NC(=O)N(Cc2cccc(Br)c2)C1=O.
What is the InChIKey of 1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is KFYSXTWRAYGHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3/c11-7-3-1-2-6(4-7)5-13-9(15)8(14)12-10(13)16/h1-4H,5H2,(H,12,14,16).
What are the key properties of 1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione?
1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 283.08 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 61410415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).