3-[2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione

C21H20N4O2S — CID 38969761

IUPAC3-[2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione
SMILESCc1ccc(-c2cnc(SCCN3C(=O)CNC3=O)n2-c2ccccc2)cc1
InChIInChI=1S/C21H20N4O2S/c1-15-7-9-16(10-8-15)18-13-23-21(25(18)17-5-3-2-4-6-17)28-12-11-24-19(26)14-22-20(24)27/h2-10,13H,11-12,14H2,1H3,(H,22,27)
InChIKeyXQTMJCHBWZHRIZ-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.49
Rot. Bonds6

About 3-[2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione

3-[2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione (PubChem CID 38969761) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-[2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione
PubChem CID38969761
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name3-[2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione
SMILESCc1ccc(-c2cnc(SCCN3C(=O)CNC3=O)n2-c2ccccc2)cc1
InChIInChI=1S/C21H20N4O2S/c1-15-7-9-16(10-8-15)18-13-23-21(25(18)17-5-3-2-4-6-17)28-12-11-24-19(26)14-22-20(24)27/h2-10,13H,11-12,14H2,1H3,(H,22,27)
InChIKeyXQTMJCHBWZHRIZ-UHFFFAOYSA-N
XLogP3.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
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-[2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione (CID 38969761) is 3-[2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione is Cc1ccc(-c2cnc(SCCN3C(=O)CNC3=O)n2-c2ccccc2)cc1.
What is the InChIKey of 3-[2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione?
The InChIKey is XQTMJCHBWZHRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-15-7-9-16(10-8-15)18-13-23-21(25(18)17-5-3-2-4-6-17)28-12-11-24-19(26)14-22-20(24)27/h2-10,13H,11-12,14H2,1H3,(H,22,27).
What are the key properties of 3-[2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione?
3-[2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione has a molecular weight of 392.48 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 38969761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).