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

C8H9ClN4O3 — CID 71755995

IUPAC1-(2-imidazol-1-ylethyl)imidazolidine-2,4,5-trione;hydrochloride
SMILESCl.O=C1NC(=O)N(CCn2ccnc2)C1=O
InChIInChI=1S/C8H8N4O3.ClH/c13-6-7(14)12(8(15)10-6)4-3-11-2-1-9-5-11;/h1-2,5H,3-4H2,(H,10,13,15);1H
InChIKeyZYQNJARRAGFCBX-UHFFFAOYSA-N
MW244.64 g/mol
LogP-0.62
Rot. Bonds3

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

1-(2-imidazol-1-ylethyl)imidazolidine-2,4,5-trione;hydrochloride (PubChem CID 71755995) has the molecular formula C8H9ClN4O3 and a molecular weight of 244.64 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)imidazolidine-2,4,5-trione;hydrochloride.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)imidazolidine-2,4,5-trione;hydrochloride
PubChem CID71755995
Molecular FormulaC8H9ClN4O3
Molecular Weight244.64 g/mol
Exact Mass244.04
IUPAC Name1-(2-imidazol-1-ylethyl)imidazolidine-2,4,5-trione;hydrochloride
SMILESCl.O=C1NC(=O)N(CCn2ccnc2)C1=O
InChIInChI=1S/C8H8N4O3.ClH/c13-6-7(14)12(8(15)10-6)4-3-11-2-1-9-5-11;/h1-2,5H,3-4H2,(H,10,13,15);1H
InChIKeyZYQNJARRAGFCBX-UHFFFAOYSA-N
XLogP-0.62
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.64
LogP ≤ 5-0.62
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-(2-imidazol-1-ylethyl)imidazolidine-2,4,5-trione;hydrochloride?
The IUPAC name of 1-(2-imidazol-1-ylethyl)imidazolidine-2,4,5-trione;hydrochloride (CID 71755995) is 1-(2-imidazol-1-ylethyl)imidazolidine-2,4,5-trione;hydrochloride.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)imidazolidine-2,4,5-trione;hydrochloride?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)imidazolidine-2,4,5-trione;hydrochloride is Cl.O=C1NC(=O)N(CCn2ccnc2)C1=O.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)imidazolidine-2,4,5-trione;hydrochloride?
The InChIKey is ZYQNJARRAGFCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3.ClH/c13-6-7(14)12(8(15)10-6)4-3-11-2-1-9-5-11;/h1-2,5H,3-4H2,(H,10,13,15);1H.
What are the key properties of 1-(2-imidazol-1-ylethyl)imidazolidine-2,4,5-trione;hydrochloride?
1-(2-imidazol-1-ylethyl)imidazolidine-2,4,5-trione;hydrochloride has a molecular weight of 244.64 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)imidazolidine-2,4,5-trione;hydrochloride is sourced from PubChem (CID 71755995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).