2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole

C11H20N2S — CID 84592567

IUPAC2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole
SMILESCCc1nccn1CCSCC(C)C
InChIInChI=1S/C11H20N2S/c1-4-11-12-5-6-13(11)7-8-14-9-10(2)3/h5-6,10H,4,7-9H2,1-3H3
InChIKeyRGLKBEGRSOGRQN-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.83
Rot. Bonds6

About 2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole

2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole (PubChem CID 84592567) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole.

Molecular Properties

Compound Name2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole
PubChem CID84592567
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole
SMILESCCc1nccn1CCSCC(C)C
InChIInChI=1S/C11H20N2S/c1-4-11-12-5-6-13(11)7-8-14-9-10(2)3/h5-6,10H,4,7-9H2,1-3H3
InChIKeyRGLKBEGRSOGRQN-UHFFFAOYSA-N
XLogP2.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-(3-ethylsulfanylpropyl)imidazole
CID 115769672
2-ethyl-1-(2-propan-2-yloxyethyl)imidazole
CID 63810193
2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole
CID 116618214
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
1-(2-methylpropylsulfanyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744194
2-ethyl-1-(4-methylsulfanylbutyl)imidazole
CID 141069920
N-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine
CID 62565130
1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 79760461
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
3-(2-ethylimidazol-1-yl)propanal
CID 63040378
ethane;2-ethyl-1-(2-methoxyethyl)imidazole
CID 164585283
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole?
The IUPAC name of 2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole (CID 84592567) is 2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole.
What is the SMILES notation for 2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole?
The canonical SMILES for 2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole is CCc1nccn1CCSCC(C)C.
What is the InChIKey of 2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole?
The InChIKey is RGLKBEGRSOGRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-4-11-12-5-6-13(11)7-8-14-9-10(2)3/h5-6,10H,4,7-9H2,1-3H3.
What are the key properties of 2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole?
2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole has a molecular weight of 212.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole is sourced from PubChem (CID 84592567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).