5-(4-bromophenyl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione

C15H14BrN3O3 — CID 18100015

IUPAC5-(4-bromophenyl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCc1cc(CN2C(=O)NC(C)(c3ccc(Br)cc3)C2=O)on1
InChIInChI=1S/C15H14BrN3O3/c1-9-7-12(22-18-9)8-19-13(20)15(2,17-14(19)21)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,17,21)
InChIKeyGPXVSHKKLZMJLM-UHFFFAOYSA-N
MW364.20 g/mol
LogP2.71
Rot. Bonds3

About 5-(4-bromophenyl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione

5-(4-bromophenyl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione (PubChem CID 18100015) has the molecular formula C15H14BrN3O3 and a molecular weight of 364.20 g/mol. Its IUPAC name is 5-(4-bromophenyl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-bromophenyl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
PubChem CID18100015
Molecular FormulaC15H14BrN3O3
Molecular Weight364.20 g/mol
Exact Mass363.02
IUPAC Name5-(4-bromophenyl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCc1cc(CN2C(=O)NC(C)(c3ccc(Br)cc3)C2=O)on1
InChIInChI=1S/C15H14BrN3O3/c1-9-7-12(22-18-9)8-19-13(20)15(2,17-14(19)21)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,17,21)
InChIKeyGPXVSHKKLZMJLM-UHFFFAOYSA-N
XLogP2.71
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-bromophenyl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione (CID 18100015) is 5-(4-bromophenyl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-bromophenyl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-bromophenyl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione is Cc1cc(CN2C(=O)NC(C)(c3ccc(Br)cc3)C2=O)on1.
What is the InChIKey of 5-(4-bromophenyl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is GPXVSHKKLZMJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O3/c1-9-7-12(22-18-9)8-19-13(20)15(2,17-14(19)21)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,17,21).
What are the key properties of 5-(4-bromophenyl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione?
5-(4-bromophenyl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 364.20 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 18100015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).