3-(4-methoxybutyl)-2-methyl-5-phenylimidazolidin-4-one

C15H22N2O2 — CID 83246112

IUPAC3-(4-methoxybutyl)-2-methyl-5-phenylimidazolidin-4-one
SMILESCOCCCCN1C(=O)C(c2ccccc2)NC1C
InChIInChI=1S/C15H22N2O2/c1-12-16-14(13-8-4-3-5-9-13)15(18)17(12)10-6-7-11-19-2/h3-5,8-9,12,14,16H,6-7,10-11H2,1-2H3
InChIKeyHTNAAQMFPCNNDM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.93
Rot. Bonds6

About 3-(4-methoxybutyl)-2-methyl-5-phenylimidazolidin-4-one

3-(4-methoxybutyl)-2-methyl-5-phenylimidazolidin-4-one (PubChem CID 83246112) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(4-methoxybutyl)-2-methyl-5-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-(4-methoxybutyl)-2-methyl-5-phenylimidazolidin-4-one
PubChem CID83246112
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(4-methoxybutyl)-2-methyl-5-phenylimidazolidin-4-one
SMILESCOCCCCN1C(=O)C(c2ccccc2)NC1C
InChIInChI=1S/C15H22N2O2/c1-12-16-14(13-8-4-3-5-9-13)15(18)17(12)10-6-7-11-19-2/h3-5,8-9,12,14,16H,6-7,10-11H2,1-2H3
InChIKeyHTNAAQMFPCNNDM-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-methoxybutyl)-2-methyl-5-phenylimidazolidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-(2-methoxyethoxy)ethyl]-2-methyl-5-phenylimidazolidin-4-one
CID 83246312
3-(3-methoxypropyl)-5-phenyl-2-propan-2-ylimidazolidin-4-one
CID 83243404
1-(4-methoxybutyl)-3-methyl-6-phenylpiperazine-2,5-dione
CID 64967402
1-(4-methoxybutyl)-3-phenyl-1,4-diazepane-2,5-dione
CID 64967329
2-methyl-3-(2-morpholin-4-ylethyl)-5-phenylimidazolidin-4-one
CID 83245208
5-ethyl-2-(3-fluorophenyl)-3-(4-methoxybutyl)imidazolidin-4-one
CID 83245843
5-methyl-2-phenyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one
CID 106011171
1-(3-fluoropropyl)-7-methyl-3-phenyl-1,4-diazepane-2,5-dione
CID 81109500
2-methyl-3-(oxan-3-ylmethyl)-5-phenylimidazolidin-4-one
CID 83249352
(2S,3R)-2-(3-fluorophenyl)-1-(3-methoxypropyl)-6-oxopiperidine-3-carboxylic acid
CID 95291406
1-(3-methoxypropyl)-5-oxo-2-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 167776370
3-(3-methylsulfanylpropyl)-5-phenyl-2-propylimidazolidin-4-one
CID 83257493

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutyl)-2-methyl-5-phenylimidazolidin-4-one?
The IUPAC name of 3-(4-methoxybutyl)-2-methyl-5-phenylimidazolidin-4-one (CID 83246112) is 3-(4-methoxybutyl)-2-methyl-5-phenylimidazolidin-4-one.
What is the SMILES notation for 3-(4-methoxybutyl)-2-methyl-5-phenylimidazolidin-4-one?
The canonical SMILES for 3-(4-methoxybutyl)-2-methyl-5-phenylimidazolidin-4-one is COCCCCN1C(=O)C(c2ccccc2)NC1C.
What is the InChIKey of 3-(4-methoxybutyl)-2-methyl-5-phenylimidazolidin-4-one?
The InChIKey is HTNAAQMFPCNNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-16-14(13-8-4-3-5-9-13)15(18)17(12)10-6-7-11-19-2/h3-5,8-9,12,14,16H,6-7,10-11H2,1-2H3.
What are the key properties of 3-(4-methoxybutyl)-2-methyl-5-phenylimidazolidin-4-one?
3-(4-methoxybutyl)-2-methyl-5-phenylimidazolidin-4-one has a molecular weight of 262.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutyl)-2-methyl-5-phenylimidazolidin-4-one is sourced from PubChem (CID 83246112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).