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

C17H27N3O — CID 83246415

IUPAC3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
SMILESCc1ccc(C2NC(C)C(=O)N2CCCCN(C)C)cc1
InChIInChI=1S/C17H27N3O/c1-13-7-9-15(10-8-13)16-18-14(2)17(21)20(16)12-6-5-11-19(3)4/h7-10,14,16,18H,5-6,11-12H2,1-4H3
InChIKeyKIQWHCBZOJPETF-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.16
Rot. Bonds6

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

3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one (PubChem CID 83246415) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
PubChem CID83246415
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
SMILESCc1ccc(C2NC(C)C(=O)N2CCCCN(C)C)cc1
InChIInChI=1S/C17H27N3O/c1-13-7-9-15(10-8-13)16-18-14(2)17(21)20(16)12-6-5-11-19(3)4/h7-10,14,16,18H,5-6,11-12H2,1-4H3
InChIKeyKIQWHCBZOJPETF-UHFFFAOYSA-N
XLogP2.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-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-(dimethylamino)ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83250403
3-(2-ethoxyethyl)-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83236973
3-[2-(dimethylamino)ethyl]-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83250661
3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83250449
5-methyl-2-(4-methylphenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 114983327
2-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
CID 83250579
5-methyl-3-pentyl-2-phenylimidazolidin-4-one
CID 83250974
3,5-dimethyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83260782
3-(cyclopentylmethyl)-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83243594
2-(4-methoxyphenyl)-5-methyl-3-pentylimidazolidin-4-one
CID 83250631
3-[2-[ethyl(methyl)amino]ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83255113
3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one
CID 83238348

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one?
The IUPAC name of 3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one (CID 83246415) is 3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one is Cc1ccc(C2NC(C)C(=O)N2CCCCN(C)C)cc1.
What is the InChIKey of 3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one?
The InChIKey is KIQWHCBZOJPETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-7-9-15(10-8-13)16-18-14(2)17(21)20(16)12-6-5-11-19(3)4/h7-10,14,16,18H,5-6,11-12H2,1-4H3.
What are the key properties of 3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one?
3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one has a molecular weight of 289.42 g/mol, XLogP of 2.16, 6 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-methyl-2-(4-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83246415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).