5-(4-aminobutyl)imidazolidine-2,4-dione

C7H13N3O2 — CID 12803244

IUPAC5-(4-aminobutyl)imidazolidine-2,4-dione
SMILESNCCCCC1NC(=O)NC1=O
InChIInChI=1S/C7H13N3O2/c8-4-2-1-3-5-6(11)10-7(12)9-5/h5H,1-4,8H2,(H2,9,10,11,12)
InChIKeyVQEWBNPYMIPJQY-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.68
Rot. Bonds4

About 5-(4-aminobutyl)imidazolidine-2,4-dione

5-(4-aminobutyl)imidazolidine-2,4-dione (PubChem CID 12803244) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-(4-aminobutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-aminobutyl)imidazolidine-2,4-dione
PubChem CID12803244
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name5-(4-aminobutyl)imidazolidine-2,4-dione
SMILESNCCCCC1NC(=O)NC1=O
InChIInChI=1S/C7H13N3O2/c8-4-2-1-3-5-6(11)10-7(12)9-5/h5H,1-4,8H2,(H2,9,10,11,12)
InChIKeyVQEWBNPYMIPJQY-UHFFFAOYSA-N
XLogP-0.68
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 5-(4-aminobutyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(4-aminobutyl)imidazolidine-2,4-dione (CID 12803244) is 5-(4-aminobutyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-aminobutyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-aminobutyl)imidazolidine-2,4-dione is NCCCCC1NC(=O)NC1=O.
What is the InChIKey of 5-(4-aminobutyl)imidazolidine-2,4-dione?
The InChIKey is VQEWBNPYMIPJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c8-4-2-1-3-5-6(11)10-7(12)9-5/h5H,1-4,8H2,(H2,9,10,11,12).
What are the key properties of 5-(4-aminobutyl)imidazolidine-2,4-dione?
5-(4-aminobutyl)imidazolidine-2,4-dione has a molecular weight of 171.20 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 12803244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).