1-(3-chloropropyl)imidazolidine-2,4-dione

C6H9ClN2O2 — CID 118050354

IUPAC1-(3-chloropropyl)imidazolidine-2,4-dione
SMILESO=C1CN(CCCCl)C(=O)N1
InChIInChI=1S/C6H9ClN2O2/c7-2-1-3-9-4-5(10)8-6(9)11/h1-4H2,(H,8,10,11)
InChIKeyIJBAJEZJOHFKBX-UHFFFAOYSA-N
MW176.60 g/mol
LogP0.17
Rot. Bonds3

About 1-(3-chloropropyl)imidazolidine-2,4-dione

1-(3-chloropropyl)imidazolidine-2,4-dione (PubChem CID 118050354) has the molecular formula C6H9ClN2O2 and a molecular weight of 176.60 g/mol. Its IUPAC name is 1-(3-chloropropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(3-chloropropyl)imidazolidine-2,4-dione
PubChem CID118050354
Molecular FormulaC6H9ClN2O2
Molecular Weight176.60 g/mol
Exact Mass176.04
IUPAC Name1-(3-chloropropyl)imidazolidine-2,4-dione
SMILESO=C1CN(CCCCl)C(=O)N1
InChIInChI=1S/C6H9ClN2O2/c7-2-1-3-9-4-5(10)8-6(9)11/h1-4H2,(H,8,10,11)
InChIKeyIJBAJEZJOHFKBX-UHFFFAOYSA-N
XLogP0.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.60
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(3-chloropropyl)imidazolidine-2,4-dione (CID 118050354) is 1-(3-chloropropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(3-chloropropyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(3-chloropropyl)imidazolidine-2,4-dione is O=C1CN(CCCCl)C(=O)N1.
What is the InChIKey of 1-(3-chloropropyl)imidazolidine-2,4-dione?
The InChIKey is IJBAJEZJOHFKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O2/c7-2-1-3-9-4-5(10)8-6(9)11/h1-4H2,(H,8,10,11).
What are the key properties of 1-(3-chloropropyl)imidazolidine-2,4-dione?
1-(3-chloropropyl)imidazolidine-2,4-dione has a molecular weight of 176.60 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 118050354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).