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

C29H30N4O2S — CID 22466804

IUPAC3-(3-imidazol-1-ylpropyl)-5-methyl-1-[[4-(methylsulfanylmethyl)phenyl]methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCSCc1ccc(CN2C(=O)N(CCCn3ccnc3)C(=O)C2(C)c2cccc3ccccc23)cc1
InChIInChI=1S/C29H30N4O2S/c1-29(26-10-5-8-24-7-3-4-9-25(24)26)27(34)32(17-6-16-31-18-15-30-21-31)28(35)33(29)19-22-11-13-23(14-12-22)20-36-2/h3-5,7-15,18,21H,6,16-17,19-20H2,1-2H3
InChIKeyFOAZKKVMCXADMU-UHFFFAOYSA-N
MW498.65 g/mol
LogP5.67
Rot. Bonds9

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

3-(3-imidazol-1-ylpropyl)-5-methyl-1-[[4-(methylsulfanylmethyl)phenyl]methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 22466804) has the molecular formula C29H30N4O2S and a molecular weight of 498.65 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[[4-(methylsulfanylmethyl)phenyl]methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropyl)-5-methyl-1-[[4-(methylsulfanylmethyl)phenyl]methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID22466804
Molecular FormulaC29H30N4O2S
Molecular Weight498.65 g/mol
Exact Mass498.21
IUPAC Name3-(3-imidazol-1-ylpropyl)-5-methyl-1-[[4-(methylsulfanylmethyl)phenyl]methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCSCc1ccc(CN2C(=O)N(CCCn3ccnc3)C(=O)C2(C)c2cccc3ccccc23)cc1
InChIInChI=1S/C29H30N4O2S/c1-29(26-10-5-8-24-7-3-4-9-25(24)26)27(34)32(17-6-16-31-18-15-30-21-31)28(35)33(29)19-22-11-13-23(14-12-22)20-36-2/h3-5,7-15,18,21H,6,16-17,19-20H2,1-2H3
InChIKeyFOAZKKVMCXADMU-UHFFFAOYSA-N
XLogP5.67
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.65
LogP ≤ 55.67
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-(methylsulfanylmethyl)phenyl]methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[[4-(methylsulfanylmethyl)phenyl]methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione (CID 22466804) is 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[[4-(methylsulfanylmethyl)phenyl]methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[[4-(methylsulfanylmethyl)phenyl]methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[[4-(methylsulfanylmethyl)phenyl]methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione is CSCc1ccc(CN2C(=O)N(CCCn3ccnc3)C(=O)C2(C)c2cccc3ccccc23)cc1.
What is the InChIKey of 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[[4-(methylsulfanylmethyl)phenyl]methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is FOAZKKVMCXADMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2S/c1-29(26-10-5-8-24-7-3-4-9-25(24)26)27(34)32(17-6-16-31-18-15-30-21-31)28(35)33(29)19-22-11-13-23(14-12-22)20-36-2/h3-5,7-15,18,21H,6,16-17,19-20H2,1-2H3.
What are the key properties of 3-(3-imidazol-1-ylpropyl)-5-methyl-1-[[4-(methylsulfanylmethyl)phenyl]methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione?
3-(3-imidazol-1-ylpropyl)-5-methyl-1-[[4-(methylsulfanylmethyl)phenyl]methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 498.65 g/mol, XLogP of 5.67, 9 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-(methylsulfanylmethyl)phenyl]methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 22466804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).