3-[[4-(aminomethyl)phenyl]methyl]-5-butyl-2-methylimino-5-phenylimidazolidin-4-one

C22H28N4O — CID 145460479

IUPAC3-[[4-(aminomethyl)phenyl]methyl]-5-butyl-2-methylimino-5-phenylimidazolidin-4-one
SMILESCCCCC1(c2ccccc2)N/C(=N\C)N(Cc2ccc(CN)cc2)C1=O
InChIInChI=1S/C22H28N4O/c1-3-4-14-22(19-8-6-5-7-9-19)20(27)26(21(24-2)25-22)16-18-12-10-17(15-23)11-13-18/h5-13H,3-4,14-16,23H2,1-2H3,(H,24,25)
InChIKeyHYTGFMCVAOQCSJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.15
Rot. Bonds7

About 3-[[4-(aminomethyl)phenyl]methyl]-5-butyl-2-methylimino-5-phenylimidazolidin-4-one

3-[[4-(aminomethyl)phenyl]methyl]-5-butyl-2-methylimino-5-phenylimidazolidin-4-one (PubChem CID 145460479) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)phenyl]methyl]-5-butyl-2-methylimino-5-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-[[4-(aminomethyl)phenyl]methyl]-5-butyl-2-methylimino-5-phenylimidazolidin-4-one
PubChem CID145460479
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name3-[[4-(aminomethyl)phenyl]methyl]-5-butyl-2-methylimino-5-phenylimidazolidin-4-one
SMILESCCCCC1(c2ccccc2)N/C(=N\C)N(Cc2ccc(CN)cc2)C1=O
InChIInChI=1S/C22H28N4O/c1-3-4-14-22(19-8-6-5-7-9-19)20(27)26(21(24-2)25-22)16-18-12-10-17(15-23)11-13-18/h5-13H,3-4,14-16,23H2,1-2H3,(H,24,25)
InChIKeyHYTGFMCVAOQCSJ-UHFFFAOYSA-N
XLogP3.15
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[4-(aminomethyl)phenyl]methyl]-5-butyl-2-methylimino-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-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione
CID 11417958
5-butyl-5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 112775559
(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585401
3-benzyl-5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione
CID 70690995
(5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 25465314
4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide
CID 40820348
4-[(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)methyl]-N-hydroxybenzamide
CID 164617546
(5S)-3-[(3-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 7986927
5-butyl-5-(4-fluorophenyl)-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 112775560
(5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7621342
5-butyl-5-phenyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 24670860
2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-naphthalen-1-ylacetamide
CID 55326957

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)phenyl]methyl]-5-butyl-2-methylimino-5-phenylimidazolidin-4-one?
The IUPAC name of 3-[[4-(aminomethyl)phenyl]methyl]-5-butyl-2-methylimino-5-phenylimidazolidin-4-one (CID 145460479) is 3-[[4-(aminomethyl)phenyl]methyl]-5-butyl-2-methylimino-5-phenylimidazolidin-4-one.
What is the SMILES notation for 3-[[4-(aminomethyl)phenyl]methyl]-5-butyl-2-methylimino-5-phenylimidazolidin-4-one?
The canonical SMILES for 3-[[4-(aminomethyl)phenyl]methyl]-5-butyl-2-methylimino-5-phenylimidazolidin-4-one is CCCCC1(c2ccccc2)N/C(=N\C)N(Cc2ccc(CN)cc2)C1=O.
What is the InChIKey of 3-[[4-(aminomethyl)phenyl]methyl]-5-butyl-2-methylimino-5-phenylimidazolidin-4-one?
The InChIKey is HYTGFMCVAOQCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-3-4-14-22(19-8-6-5-7-9-19)20(27)26(21(24-2)25-22)16-18-12-10-17(15-23)11-13-18/h5-13H,3-4,14-16,23H2,1-2H3,(H,24,25).
What are the key properties of 3-[[4-(aminomethyl)phenyl]methyl]-5-butyl-2-methylimino-5-phenylimidazolidin-4-one?
3-[[4-(aminomethyl)phenyl]methyl]-5-butyl-2-methylimino-5-phenylimidazolidin-4-one has a molecular weight of 364.49 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)phenyl]methyl]-5-butyl-2-methylimino-5-phenylimidazolidin-4-one is sourced from PubChem (CID 145460479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).