3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione

C28H28N4O4S — CID 22466825

IUPAC3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCC1(c2cccc3ccccc23)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C28H28N4O4S/c1-28(25-10-5-8-22-7-3-4-9-24(22)25)26(33)31(17-6-16-30-18-15-29-20-30)27(34)32(28)19-21-11-13-23(14-12-21)37(2,35)36/h3-5,7-15,18,20H,6,16-17,19H2,1-2H3
InChIKeyARZMSIQUIDXWHZ-UHFFFAOYSA-N
MW516.62 g/mol
LogP4.21
Rot. Bonds8

About 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione

3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 22466825) has the molecular formula C28H28N4O4S and a molecular weight of 516.62 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID22466825
Molecular FormulaC28H28N4O4S
Molecular Weight516.62 g/mol
Exact Mass516.18
IUPAC Name3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCC1(c2cccc3ccccc23)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C28H28N4O4S/c1-28(25-10-5-8-22-7-3-4-9-24(22)25)26(33)31(17-6-16-30-18-15-29-20-30)27(34)32(28)19-21-11-13-23(14-12-21)37(2,35)36/h3-5,7-15,18,20H,6,16-17,19H2,1-2H3
InChIKeyARZMSIQUIDXWHZ-UHFFFAOYSA-N
XLogP4.21
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.62
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione 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

5-((3-(3-(1H-imidazol-1-yl)propyl)-5-methyl-5-(naphthalen-1-yl)-2,4-dioxoimidazolidin-1-yl)methyl)-2-(methylthio)benzonitrile
CID 15949567
3-(3-(1H-imidazol-1-yl)propyl)-1-(4-(methylthiomethyl)benzyl)-5-methyl-5-(naphthalen-1-yl)imidazolidine-2,4-dione
CID 22466804
3-(3-(1H-imidazol-1-yl)propyl)-1-(4-(methylthio)benzyl)-5-methyl-5-(naphthalen-1-yl)imidazolidine-2,4-dione
CID 22466823
4-((3-(3-(1H-imidazol-1-yl)propyl)-5-methyl-5-(naphthalen-1-yl)-2,4-dioxoimidazolidin-1-yl)methyl)benzonitrile
CID 22466836
N-(2-((3-(3-(1H-imidazol-1-yl)propyl)-5-methyl-5-(naphthalen-1-yl)-2,4-dioxoimidazolidin-1-yl)methyl)benzyl)methanesulfonamide
CID 22466855
N-(4-((3-(3-(1H-imidazol-1-yl)propyl)-5-methyl-5-(naphthalen-1-yl)-2,4-dioxoimidazolidin-1-yl)methyl)benzyl)methanesulfonamide
CID 22466880
5-((3-(3-(1H-imidazol-1-yl)propyl)-5-methyl-5-(naphthalen-1-yl)-2,4-dioxoimidazolidin-1-yl)methyl)-2-(methylsulfonyl)benzonitrile
CID 22466884
3-((3-(3-(1H-imidazol-1-yl)propyl)-5-methyl-5-(naphthalen-1-yl)-2,4-dioxoimidazolidin-1-yl)methyl)benzonitrile
CID 22466895
3-(3-(1H-imidazol-1-yl)propyl)-1-(4-(aminomethyl)benzyl)-5-methyl-5-(naphthalen-1-yl)imidazolidine-2,4-dione
CID 22466839
3-(3-(1H-imidazol-1-yl)propyl)-5-methyl-5-(naphthalen-1-yl)imidazolidine-2,4-dione
CID 22466842
N-(3-((3-(3-(1H-imidazol-1-yl)propyl)-5-methyl-5-(naphthalen-1-yl)-2,4-dioxoimidazolidin-1-yl)methyl)benzyl)methanesulfonamide
CID 22466854
3-(3-(1H-imidazol-1-yl)propyl)-1-(3-(trifluoromethyl)benzyl)-5-methyl-5-(naphthalen-1-yl)imidazolidine-2,4-dione
CID 22466859

Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione (CID 22466825) is 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione is CC1(c2cccc3ccccc23)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is ARZMSIQUIDXWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4S/c1-28(25-10-5-8-22-7-3-4-9-24(22)25)26(33)31(17-6-16-30-18-15-29-20-30)27(34)32(28)19-21-11-13-23(14-12-21)37(2,35)36/h3-5,7-15,18,20H,6,16-17,19H2,1-2H3.
What are the key properties of 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione?
3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 516.62 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 22466825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).