5-(3-bromophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione

C16H14BrN3O3 — CID 118150231

IUPAC5-(3-bromophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESCc1cccn(CC2(c3cccc(Br)c3)NC(=O)NC2=O)c1=O
InChIInChI=1S/C16H14BrN3O3/c1-10-4-3-7-20(13(10)21)9-16(14(22)18-15(23)19-16)11-5-2-6-12(17)8-11/h2-8H,9H2,1H3,(H2,18,19,22,23)
InChIKeyQYKXAWPWYFMAJK-UHFFFAOYSA-N
MW376.21 g/mol
LogP1.65
Rot. Bonds3

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

5-(3-bromophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione (PubChem CID 118150231) has the molecular formula C16H14BrN3O3 and a molecular weight of 376.21 g/mol. Its IUPAC name is 5-(3-bromophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-bromophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione
PubChem CID118150231
Molecular FormulaC16H14BrN3O3
Molecular Weight376.21 g/mol
Exact Mass375.02
IUPAC Name5-(3-bromophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESCc1cccn(CC2(c3cccc(Br)c3)NC(=O)NC2=O)c1=O
InChIInChI=1S/C16H14BrN3O3/c1-10-4-3-7-20(13(10)21)9-16(14(22)18-15(23)19-16)11-5-2-6-12(17)8-11/h2-8H,9H2,1H3,(H2,18,19,22,23)
InChIKeyQYKXAWPWYFMAJK-UHFFFAOYSA-N
XLogP1.65
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 51.65
H-Bond Donors ≤ 52
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-(3-bromophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(3-bromophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione (CID 118150231) is 5-(3-bromophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-bromophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(3-bromophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione is Cc1cccn(CC2(c3cccc(Br)c3)NC(=O)NC2=O)c1=O.
What is the InChIKey of 5-(3-bromophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione?
The InChIKey is QYKXAWPWYFMAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O3/c1-10-4-3-7-20(13(10)21)9-16(14(22)18-15(23)19-16)11-5-2-6-12(17)8-11/h2-8H,9H2,1H3,(H2,18,19,22,23).
What are the key properties of 5-(3-bromophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione?
5-(3-bromophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione has a molecular weight of 376.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 118150231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).