3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione

C12H18N4O2S — CID 38662711

IUPAC3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCn1ccnc1SCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H18N4O2S/c1-4-15-6-5-13-11(15)19-8-7-16-9(17)12(2,3)14-10(16)18/h5-6H,4,7-8H2,1-3H3,(H,14,18)
InChIKeyUPBSYISXVZTPGT-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.33
Rot. Bonds5

About 3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 38662711) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID38662711
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCn1ccnc1SCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H18N4O2S/c1-4-15-6-5-13-11(15)19-8-7-16-9(17)12(2,3)14-10(16)18/h5-6H,4,7-8H2,1-3H3,(H,14,18)
InChIKeyUPBSYISXVZTPGT-UHFFFAOYSA-N
XLogP1.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.33
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-(1-ethylimidazol-2-yl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 38662711) is 3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione is CCn1ccnc1SCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is UPBSYISXVZTPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-4-15-6-5-13-11(15)19-8-7-16-9(17)12(2,3)14-10(16)18/h5-6H,4,7-8H2,1-3H3,(H,14,18).
What are the key properties of 3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 282.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 38662711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).