1-(benzylideneamino)-3-[4-(dimethylamino)butyl]imidazolidin-2-one

C16H24N4O — CID 57246587

IUPAC1-(benzylideneamino)-3-[4-(dimethylamino)butyl]imidazolidin-2-one
SMILESCN(C)CCCCN1CCN(N=Cc2ccccc2)C1=O
InChIInChI=1S/C16H24N4O/c1-18(2)10-6-7-11-19-12-13-20(16(19)21)17-14-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3
InChIKeyCAAWJNGRIXLOJY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.10
Rot. Bonds7

About 1-(benzylideneamino)-3-[4-(dimethylamino)butyl]imidazolidin-2-one

1-(benzylideneamino)-3-[4-(dimethylamino)butyl]imidazolidin-2-one (PubChem CID 57246587) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(benzylideneamino)-3-[4-(dimethylamino)butyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(benzylideneamino)-3-[4-(dimethylamino)butyl]imidazolidin-2-one
PubChem CID57246587
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-(benzylideneamino)-3-[4-(dimethylamino)butyl]imidazolidin-2-one
SMILESCN(C)CCCCN1CCN(N=Cc2ccccc2)C1=O
InChIInChI=1S/C16H24N4O/c1-18(2)10-6-7-11-19-12-13-20(16(19)21)17-14-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3
InChIKeyCAAWJNGRIXLOJY-UHFFFAOYSA-N
XLogP2.10
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(benzylideneamino)-3-[4-(dimethylamino)butyl]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-(benzylideneamino)-3-[4-(dimethylamino)butyl]imidazolidin-2-one?
The IUPAC name of 1-(benzylideneamino)-3-[4-(dimethylamino)butyl]imidazolidin-2-one (CID 57246587) is 1-(benzylideneamino)-3-[4-(dimethylamino)butyl]imidazolidin-2-one.
What is the SMILES notation for 1-(benzylideneamino)-3-[4-(dimethylamino)butyl]imidazolidin-2-one?
The canonical SMILES for 1-(benzylideneamino)-3-[4-(dimethylamino)butyl]imidazolidin-2-one is CN(C)CCCCN1CCN(N=Cc2ccccc2)C1=O.
What is the InChIKey of 1-(benzylideneamino)-3-[4-(dimethylamino)butyl]imidazolidin-2-one?
The InChIKey is CAAWJNGRIXLOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-18(2)10-6-7-11-19-12-13-20(16(19)21)17-14-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3.
What are the key properties of 1-(benzylideneamino)-3-[4-(dimethylamino)butyl]imidazolidin-2-one?
1-(benzylideneamino)-3-[4-(dimethylamino)butyl]imidazolidin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylideneamino)-3-[4-(dimethylamino)butyl]imidazolidin-2-one is sourced from PubChem (CID 57246587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).