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

C13H16BrN3O2 — CID 54918793

IUPAC3-[(4-amino-2-bromophenyl)methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2ccc(N)cc2Br)C1=O
InChIInChI=1S/C13H16BrN3O2/c1-2-3-11-12(18)17(13(19)16-11)7-8-4-5-9(15)6-10(8)14/h4-6,11H,2-3,7,15H2,1H3,(H,16,19)
InChIKeyOYBPTHAOQZWAGQ-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.25
Rot. Bonds4

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

3-[(4-amino-2-bromophenyl)methyl]-5-propylimidazolidine-2,4-dione (PubChem CID 54918793) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 3-[(4-amino-2-bromophenyl)methyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-amino-2-bromophenyl)methyl]-5-propylimidazolidine-2,4-dione
PubChem CID54918793
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name3-[(4-amino-2-bromophenyl)methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2ccc(N)cc2Br)C1=O
InChIInChI=1S/C13H16BrN3O2/c1-2-3-11-12(18)17(13(19)16-11)7-8-4-5-9(15)6-10(8)14/h4-6,11H,2-3,7,15H2,1H3,(H,16,19)
InChIKeyOYBPTHAOQZWAGQ-UHFFFAOYSA-N
XLogP2.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2-bromophenyl)methyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-[(4-amino-2-bromophenyl)methyl]-5-propylimidazolidine-2,4-dione (CID 54918793) is 3-[(4-amino-2-bromophenyl)methyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-amino-2-bromophenyl)methyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-amino-2-bromophenyl)methyl]-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(Cc2ccc(N)cc2Br)C1=O.
What is the InChIKey of 3-[(4-amino-2-bromophenyl)methyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is OYBPTHAOQZWAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-2-3-11-12(18)17(13(19)16-11)7-8-4-5-9(15)6-10(8)14/h4-6,11H,2-3,7,15H2,1H3,(H,16,19).
What are the key properties of 3-[(4-amino-2-bromophenyl)methyl]-5-propylimidazolidine-2,4-dione?
3-[(4-amino-2-bromophenyl)methyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 326.19 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2-bromophenyl)methyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 54918793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).