3-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidine-2,4-dione

C15H22N4O2 — CID 107367635

IUPAC3-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidine-2,4-dione
SMILESNCCCN(CCN1C(=O)CNC1=O)Cc1ccccc1
InChIInChI=1S/C15H22N4O2/c16-7-4-8-18(12-13-5-2-1-3-6-13)9-10-19-14(20)11-17-15(19)21/h1-3,5-6H,4,7-12,16H2,(H,17,21)
InChIKeyDONFJNWCKNOIFZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.39
Rot. Bonds8

About 3-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidine-2,4-dione

3-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidine-2,4-dione (PubChem CID 107367635) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidine-2,4-dione
PubChem CID107367635
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidine-2,4-dione
SMILESNCCCN(CCN1C(=O)CNC1=O)Cc1ccccc1
InChIInChI=1S/C15H22N4O2/c16-7-4-8-18(12-13-5-2-1-3-6-13)9-10-19-14(20)11-17-15(19)21/h1-3,5-6H,4,7-12,16H2,(H,17,21)
InChIKeyDONFJNWCKNOIFZ-UHFFFAOYSA-N
XLogP0.39
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidin-2-one
CID 107367465
N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
CID 107367822
N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 107367226
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
3-(2-phenylmethoxyethyl)imidazolidine-2,4-dione
CID 19829208
N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine
CID 107367797
N'-benzyl-N'-but-3-enylpropane-1,3-diamine
CID 107367467
N'-benzyl-N'-but-3-ynylpropane-1,3-diamine
CID 107367143
1-[3-(dibenzylamino)propyl]imidazolidin-2-one
CID 130965229
N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 107367067
2-[2-[benzyl(hexyl)amino]ethyl]isoindole-1,3-dione
CID 22067483
3-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethyl]imidazolidine-2,4-dione
CID 51076814

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidine-2,4-dione (CID 107367635) is 3-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidine-2,4-dione is NCCCN(CCN1C(=O)CNC1=O)Cc1ccccc1.
What is the InChIKey of 3-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidine-2,4-dione?
The InChIKey is DONFJNWCKNOIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c16-7-4-8-18(12-13-5-2-1-3-6-13)9-10-19-14(20)11-17-15(19)21/h1-3,5-6H,4,7-12,16H2,(H,17,21).
What are the key properties of 3-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidine-2,4-dione?
3-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidine-2,4-dione has a molecular weight of 290.37 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 107367635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).