1-[2-(4-bromophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione

C14H15BrN2O4 — CID 7652330

IUPAC1-[2-(4-bromophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
SMILESCC(C)N1C(=O)C(=O)N(CCOc2ccc(Br)cc2)C1=O
InChIInChI=1S/C14H15BrN2O4/c1-9(2)17-13(19)12(18)16(14(17)20)7-8-21-11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyVBJAGAIFTKXYII-UHFFFAOYSA-N
MW355.19 g/mol
LogP2.03
Rot. Bonds5

About 1-[2-(4-bromophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione

1-[2-(4-bromophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione (PubChem CID 7652330) has the molecular formula C14H15BrN2O4 and a molecular weight of 355.19 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
PubChem CID7652330
Molecular FormulaC14H15BrN2O4
Molecular Weight355.19 g/mol
Exact Mass354.02
IUPAC Name1-[2-(4-bromophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
SMILESCC(C)N1C(=O)C(=O)N(CCOc2ccc(Br)cc2)C1=O
InChIInChI=1S/C14H15BrN2O4/c1-9(2)17-13(19)12(18)16(14(17)20)7-8-21-11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyVBJAGAIFTKXYII-UHFFFAOYSA-N
XLogP2.03
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-bromophenoxy)ethyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513805
1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79180667
4-[2-(4-bromophenoxy)ethyl]morpholine-3,5-dione
CID 54970412
1-[2-(4-bromophenoxy)ethyl]piperazine-2,6-dione
CID 66062841
1-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 7652287
1-[3-(4-bromophenoxy)propyl]pyrrolidine-2,5-dione
CID 94720437
3-[2-(4-bromophenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622476
1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione
CID 7823968
3-[2-(4-bromophenoxy)ethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2421484
4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one
CID 64694771
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690
1-[2-(4-bromophenoxy)ethyl]-4-methylpyrrolidin-2-one
CID 63101038

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione (CID 7652330) is 1-[2-(4-bromophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(4-bromophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(4-bromophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione is CC(C)N1C(=O)C(=O)N(CCOc2ccc(Br)cc2)C1=O.
What is the InChIKey of 1-[2-(4-bromophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The InChIKey is VBJAGAIFTKXYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O4/c1-9(2)17-13(19)12(18)16(14(17)20)7-8-21-11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-[2-(4-bromophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
1-[2-(4-bromophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione has a molecular weight of 355.19 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione is sourced from PubChem (CID 7652330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).