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

C28H28N4O2S — CID 22466823

IUPAC3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfanylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCSc1ccc(CN2C(=O)N(CCCn3ccnc3)C(=O)C2(C)c2cccc3ccccc23)cc1
InChIInChI=1S/C28H28N4O2S/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(35-2)14-12-21/h3-5,7-15,18,20H,6,16-17,19H2,1-2H3
InChIKeyZXEBGRLCZDOCAL-UHFFFAOYSA-N
MW484.63 g/mol
LogP5.53
Rot. Bonds8

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

3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfanylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 22466823) has the molecular formula C28H28N4O2S and a molecular weight of 484.63 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfanylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfanylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID22466823
Molecular FormulaC28H28N4O2S
Molecular Weight484.63 g/mol
Exact Mass484.19
IUPAC Name3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfanylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCSc1ccc(CN2C(=O)N(CCCn3ccnc3)C(=O)C2(C)c2cccc3ccccc23)cc1
InChIInChI=1S/C28H28N4O2S/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(35-2)14-12-21/h3-5,7-15,18,20H,6,16-17,19H2,1-2H3
InChIKeyZXEBGRLCZDOCAL-UHFFFAOYSA-N
XLogP5.53
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.63
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfanylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfanylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione (CID 22466823) is 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfanylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfanylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfanylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione is CSc1ccc(CN2C(=O)N(CCCn3ccnc3)C(=O)C2(C)c2cccc3ccccc23)cc1.
What is the InChIKey of 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfanylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is ZXEBGRLCZDOCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2S/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(35-2)14-12-21/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-methylsulfanylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione?
3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfanylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 484.63 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[(4-methylsulfanylphenyl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 22466823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).