1-(2-methylperoxy-2-thiophen-2-ylethyl)imidazole

C10H12N2O2S — CID 175232463

IUPAC1-(2-methylperoxy-2-thiophen-2-ylethyl)imidazole
SMILESCOOC(Cn1ccnc1)c1cccs1
InChIInChI=1S/C10H12N2O2S/c1-13-14-9(10-3-2-6-15-10)7-12-5-4-11-8-12/h2-6,8-9H,7H2,1H3
InChIKeyNCFSGTNSVUOOBB-UHFFFAOYSA-N
MW224.29 g/mol
LogP2.26
Rot. Bonds5

About 1-(2-methylperoxy-2-thiophen-2-ylethyl)imidazole

1-(2-methylperoxy-2-thiophen-2-ylethyl)imidazole (PubChem CID 175232463) has the molecular formula C10H12N2O2S and a molecular weight of 224.29 g/mol. Its IUPAC name is 1-(2-methylperoxy-2-thiophen-2-ylethyl)imidazole.

Molecular Properties

Compound Name1-(2-methylperoxy-2-thiophen-2-ylethyl)imidazole
PubChem CID175232463
Molecular FormulaC10H12N2O2S
Molecular Weight224.29 g/mol
Exact Mass224.06
IUPAC Name1-(2-methylperoxy-2-thiophen-2-ylethyl)imidazole
SMILESCOOC(Cn1ccnc1)c1cccs1
InChIInChI=1S/C10H12N2O2S/c1-13-14-9(10-3-2-6-15-10)7-12-5-4-11-8-12/h2-6,8-9H,7H2,1H3
InChIKeyNCFSGTNSVUOOBB-UHFFFAOYSA-N
XLogP2.26
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylperoxy-2-thiophen-2-ylethyl)imidazole?
The IUPAC name of 1-(2-methylperoxy-2-thiophen-2-ylethyl)imidazole (CID 175232463) is 1-(2-methylperoxy-2-thiophen-2-ylethyl)imidazole.
What is the SMILES notation for 1-(2-methylperoxy-2-thiophen-2-ylethyl)imidazole?
The canonical SMILES for 1-(2-methylperoxy-2-thiophen-2-ylethyl)imidazole is COOC(Cn1ccnc1)c1cccs1.
What is the InChIKey of 1-(2-methylperoxy-2-thiophen-2-ylethyl)imidazole?
The InChIKey is NCFSGTNSVUOOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-13-14-9(10-3-2-6-15-10)7-12-5-4-11-8-12/h2-6,8-9H,7H2,1H3.
What are the key properties of 1-(2-methylperoxy-2-thiophen-2-ylethyl)imidazole?
1-(2-methylperoxy-2-thiophen-2-ylethyl)imidazole has a molecular weight of 224.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylperoxy-2-thiophen-2-ylethyl)imidazole is sourced from PubChem (CID 175232463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).