2-(2-ethoxyethylsulfanyl)-4,5-dimethyl-1-(2-methylpropyl)imidazole

C13H24N2OS — CID 78828004

IUPAC2-(2-ethoxyethylsulfanyl)-4,5-dimethyl-1-(2-methylpropyl)imidazole
SMILESCCOCCSc1nc(C)c(C)n1CC(C)C
InChIInChI=1S/C13H24N2OS/c1-6-16-7-8-17-13-14-11(4)12(5)15(13)9-10(2)3/h10H,6-9H2,1-5H3
InChIKeyDQAXKWMARQAWLS-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.28
Rot. Bonds7

About 2-(2-ethoxyethylsulfanyl)-4,5-dimethyl-1-(2-methylpropyl)imidazole

2-(2-ethoxyethylsulfanyl)-4,5-dimethyl-1-(2-methylpropyl)imidazole (PubChem CID 78828004) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-(2-ethoxyethylsulfanyl)-4,5-dimethyl-1-(2-methylpropyl)imidazole.

Molecular Properties

Compound Name2-(2-ethoxyethylsulfanyl)-4,5-dimethyl-1-(2-methylpropyl)imidazole
PubChem CID78828004
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-(2-ethoxyethylsulfanyl)-4,5-dimethyl-1-(2-methylpropyl)imidazole
SMILESCCOCCSc1nc(C)c(C)n1CC(C)C
InChIInChI=1S/C13H24N2OS/c1-6-16-7-8-17-13-14-11(4)12(5)15(13)9-10(2)3/h10H,6-9H2,1-5H3
InChIKeyDQAXKWMARQAWLS-UHFFFAOYSA-N
XLogP3.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylsulfanyl)-4,5-dimethyl-1-(2-methylpropyl)imidazole?
The IUPAC name of 2-(2-ethoxyethylsulfanyl)-4,5-dimethyl-1-(2-methylpropyl)imidazole (CID 78828004) is 2-(2-ethoxyethylsulfanyl)-4,5-dimethyl-1-(2-methylpropyl)imidazole.
What is the SMILES notation for 2-(2-ethoxyethylsulfanyl)-4,5-dimethyl-1-(2-methylpropyl)imidazole?
The canonical SMILES for 2-(2-ethoxyethylsulfanyl)-4,5-dimethyl-1-(2-methylpropyl)imidazole is CCOCCSc1nc(C)c(C)n1CC(C)C.
What is the InChIKey of 2-(2-ethoxyethylsulfanyl)-4,5-dimethyl-1-(2-methylpropyl)imidazole?
The InChIKey is DQAXKWMARQAWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-6-16-7-8-17-13-14-11(4)12(5)15(13)9-10(2)3/h10H,6-9H2,1-5H3.
What are the key properties of 2-(2-ethoxyethylsulfanyl)-4,5-dimethyl-1-(2-methylpropyl)imidazole?
2-(2-ethoxyethylsulfanyl)-4,5-dimethyl-1-(2-methylpropyl)imidazole has a molecular weight of 256.41 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylsulfanyl)-4,5-dimethyl-1-(2-methylpropyl)imidazole is sourced from PubChem (CID 78828004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).