1-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidin-2-one

C15H24N4O — CID 107367465

IUPAC1-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidin-2-one
SMILESNCCCN(CCN1CCNC1=O)Cc1ccccc1
InChIInChI=1S/C15H24N4O/c16-7-4-9-18(13-14-5-2-1-3-6-14)11-12-19-10-8-17-15(19)20/h1-3,5-6H,4,7-13,16H2,(H,17,20)
InChIKeyZONZSQLQSNPEJL-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.86
Rot. Bonds8

About 1-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidin-2-one

1-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidin-2-one (PubChem CID 107367465) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidin-2-one
PubChem CID107367465
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidin-2-one
SMILESNCCCN(CCN1CCNC1=O)Cc1ccccc1
InChIInChI=1S/C15H24N4O/c16-7-4-9-18(13-14-5-2-1-3-6-14)11-12-19-10-8-17-15(19)20/h1-3,5-6H,4,7-13,16H2,(H,17,20)
InChIKeyZONZSQLQSNPEJL-UHFFFAOYSA-N
XLogP0.86
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidin-2-one (CID 107367465) is 1-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidin-2-one is NCCCN(CCN1CCNC1=O)Cc1ccccc1.
What is the InChIKey of 1-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidin-2-one?
The InChIKey is ZONZSQLQSNPEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c16-7-4-9-18(13-14-5-2-1-3-6-14)11-12-19-10-8-17-15(19)20/h1-3,5-6H,4,7-13,16H2,(H,17,20).
What are the key properties of 1-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidin-2-one?
1-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidin-2-one has a molecular weight of 276.38 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 107367465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).