5-benzyl-3-[4-(dimethylamino)butyl]imidazolidin-4-one

C16H25N3O — CID 83246662

IUPAC5-benzyl-3-[4-(dimethylamino)butyl]imidazolidin-4-one
SMILESCN(C)CCCCN1CNC(Cc2ccccc2)C1=O
InChIInChI=1S/C16H25N3O/c1-18(2)10-6-7-11-19-13-17-15(16(19)20)12-14-8-4-3-5-9-14/h3-5,8-9,15,17H,6-7,10-13H2,1-2H3
InChIKeyAREZKSLEUHHAOB-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.33
Rot. Bonds7

About 5-benzyl-3-[4-(dimethylamino)butyl]imidazolidin-4-one

5-benzyl-3-[4-(dimethylamino)butyl]imidazolidin-4-one (PubChem CID 83246662) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-benzyl-3-[4-(dimethylamino)butyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-3-[4-(dimethylamino)butyl]imidazolidin-4-one
PubChem CID83246662
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-benzyl-3-[4-(dimethylamino)butyl]imidazolidin-4-one
SMILESCN(C)CCCCN1CNC(Cc2ccccc2)C1=O
InChIInChI=1S/C16H25N3O/c1-18(2)10-6-7-11-19-13-17-15(16(19)20)12-14-8-4-3-5-9-14/h3-5,8-9,15,17H,6-7,10-13H2,1-2H3
InChIKeyAREZKSLEUHHAOB-UHFFFAOYSA-N
XLogP1.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[4-(dimethylamino)butyl]imidazolidin-4-one?
The IUPAC name of 5-benzyl-3-[4-(dimethylamino)butyl]imidazolidin-4-one (CID 83246662) is 5-benzyl-3-[4-(dimethylamino)butyl]imidazolidin-4-one.
What is the SMILES notation for 5-benzyl-3-[4-(dimethylamino)butyl]imidazolidin-4-one?
The canonical SMILES for 5-benzyl-3-[4-(dimethylamino)butyl]imidazolidin-4-one is CN(C)CCCCN1CNC(Cc2ccccc2)C1=O.
What is the InChIKey of 5-benzyl-3-[4-(dimethylamino)butyl]imidazolidin-4-one?
The InChIKey is AREZKSLEUHHAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18(2)10-6-7-11-19-13-17-15(16(19)20)12-14-8-4-3-5-9-14/h3-5,8-9,15,17H,6-7,10-13H2,1-2H3.
What are the key properties of 5-benzyl-3-[4-(dimethylamino)butyl]imidazolidin-4-one?
5-benzyl-3-[4-(dimethylamino)butyl]imidazolidin-4-one has a molecular weight of 275.40 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-[4-(dimethylamino)butyl]imidazolidin-4-one is sourced from PubChem (CID 83246662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).