1-(3-imidazol-1-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride

C9H11ClN4O3 — CID 71756552

IUPAC1-(3-imidazol-1-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride
SMILESCl.O=C1NC(=O)N(CCCn2ccnc2)C1=O
InChIInChI=1S/C9H10N4O3.ClH/c14-7-8(15)13(9(16)11-7)4-1-3-12-5-2-10-6-12;/h2,5-6H,1,3-4H2,(H,11,14,16);1H
InChIKeyRIQCWJVKUDTEEN-UHFFFAOYSA-N
MW258.66 g/mol
LogP-0.23
Rot. Bonds4

About 1-(3-imidazol-1-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride

1-(3-imidazol-1-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride (PubChem CID 71756552) has the molecular formula C9H11ClN4O3 and a molecular weight of 258.66 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride
PubChem CID71756552
Molecular FormulaC9H11ClN4O3
Molecular Weight258.66 g/mol
Exact Mass258.05
IUPAC Name1-(3-imidazol-1-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride
SMILESCl.O=C1NC(=O)N(CCCn2ccnc2)C1=O
InChIInChI=1S/C9H10N4O3.ClH/c14-7-8(15)13(9(16)11-7)4-1-3-12-5-2-10-6-12;/h2,5-6H,1,3-4H2,(H,11,14,16);1H
InChIKeyRIQCWJVKUDTEEN-UHFFFAOYSA-N
XLogP-0.23
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride (CID 71756552) is 1-(3-imidazol-1-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride is Cl.O=C1NC(=O)N(CCCn2ccnc2)C1=O.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride?
The InChIKey is RIQCWJVKUDTEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3.ClH/c14-7-8(15)13(9(16)11-7)4-1-3-12-5-2-10-6-12;/h2,5-6H,1,3-4H2,(H,11,14,16);1H.
What are the key properties of 1-(3-imidazol-1-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride?
1-(3-imidazol-1-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride has a molecular weight of 258.66 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)imidazolidine-2,4,5-trione;hydrochloride is sourced from PubChem (CID 71756552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).