3-[4-(dimethylamino)butyl]-5-(2-phenylethyl)imidazolidin-4-one

C17H27N3O — CID 114923850

IUPAC3-[4-(dimethylamino)butyl]-5-(2-phenylethyl)imidazolidin-4-one
SMILESCN(C)CCCCN1CNC(CCc2ccccc2)C1=O
InChIInChI=1S/C17H27N3O/c1-19(2)12-6-7-13-20-14-18-16(17(20)21)11-10-15-8-4-3-5-9-15/h3-5,8-9,16,18H,6-7,10-14H2,1-2H3
InChIKeyWMEHQUGVRVRPCK-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.72
Rot. Bonds8

About 3-[4-(dimethylamino)butyl]-5-(2-phenylethyl)imidazolidin-4-one

3-[4-(dimethylamino)butyl]-5-(2-phenylethyl)imidazolidin-4-one (PubChem CID 114923850) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[4-(dimethylamino)butyl]-5-(2-phenylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)butyl]-5-(2-phenylethyl)imidazolidin-4-one
PubChem CID114923850
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-[4-(dimethylamino)butyl]-5-(2-phenylethyl)imidazolidin-4-one
SMILESCN(C)CCCCN1CNC(CCc2ccccc2)C1=O
InChIInChI=1S/C17H27N3O/c1-19(2)12-6-7-13-20-14-18-16(17(20)21)11-10-15-8-4-3-5-9-15/h3-5,8-9,16,18H,6-7,10-14H2,1-2H3
InChIKeyWMEHQUGVRVRPCK-UHFFFAOYSA-N
XLogP1.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.72
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 3-[4-(dimethylamino)butyl]-5-(2-phenylethyl)imidazolidin-4-one?
The IUPAC name of 3-[4-(dimethylamino)butyl]-5-(2-phenylethyl)imidazolidin-4-one (CID 114923850) is 3-[4-(dimethylamino)butyl]-5-(2-phenylethyl)imidazolidin-4-one.
What is the SMILES notation for 3-[4-(dimethylamino)butyl]-5-(2-phenylethyl)imidazolidin-4-one?
The canonical SMILES for 3-[4-(dimethylamino)butyl]-5-(2-phenylethyl)imidazolidin-4-one is CN(C)CCCCN1CNC(CCc2ccccc2)C1=O.
What is the InChIKey of 3-[4-(dimethylamino)butyl]-5-(2-phenylethyl)imidazolidin-4-one?
The InChIKey is WMEHQUGVRVRPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19(2)12-6-7-13-20-14-18-16(17(20)21)11-10-15-8-4-3-5-9-15/h3-5,8-9,16,18H,6-7,10-14H2,1-2H3.
What are the key properties of 3-[4-(dimethylamino)butyl]-5-(2-phenylethyl)imidazolidin-4-one?
3-[4-(dimethylamino)butyl]-5-(2-phenylethyl)imidazolidin-4-one has a molecular weight of 289.42 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)butyl]-5-(2-phenylethyl)imidazolidin-4-one is sourced from PubChem (CID 114923850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).