3-[3-[(5-bromo-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione

C11H13BrN4O2 — CID 71874716

IUPAC3-[3-[(5-bromo-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCNc1ccc(Br)cn1
InChIInChI=1S/C11H13BrN4O2/c12-8-2-3-9(14-6-8)13-4-1-5-16-10(17)7-15-11(16)18/h2-3,6H,1,4-5,7H2,(H,13,14)(H,15,18)
InChIKeyCDVGLTIIONOTBX-UHFFFAOYSA-N
MW313.16 g/mol
LogP1.20
Rot. Bonds5

About 3-[3-[(5-bromo-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione

3-[3-[(5-bromo-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione (PubChem CID 71874716) has the molecular formula C11H13BrN4O2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 3-[3-[(5-bromo-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[(5-bromo-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione
PubChem CID71874716
Molecular FormulaC11H13BrN4O2
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name3-[3-[(5-bromo-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCNc1ccc(Br)cn1
InChIInChI=1S/C11H13BrN4O2/c12-8-2-3-9(14-6-8)13-4-1-5-16-10(17)7-15-11(16)18/h2-3,6H,1,4-5,7H2,(H,13,14)(H,15,18)
InChIKeyCDVGLTIIONOTBX-UHFFFAOYSA-N
XLogP1.20
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-bromo-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-[(5-bromo-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione (CID 71874716) is 3-[3-[(5-bromo-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[(5-bromo-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[(5-bromo-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCCNc1ccc(Br)cn1.
What is the InChIKey of 3-[3-[(5-bromo-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione?
The InChIKey is CDVGLTIIONOTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2/c12-8-2-3-9(14-6-8)13-4-1-5-16-10(17)7-15-11(16)18/h2-3,6H,1,4-5,7H2,(H,13,14)(H,15,18).
What are the key properties of 3-[3-[(5-bromo-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione?
3-[3-[(5-bromo-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione has a molecular weight of 313.16 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5-bromo-2-pyridinyl)amino]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71874716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).