2-ethyl-1-(3-ethylsulfanylpropyl)imidazole

C10H18N2S — CID 115769672

IUPAC2-ethyl-1-(3-ethylsulfanylpropyl)imidazole
SMILESCCSCCCn1ccnc1CC
InChIInChI=1S/C10H18N2S/c1-3-10-11-6-8-12(10)7-5-9-13-4-2/h6,8H,3-5,7,9H2,1-2H3
InChIKeyJAEQGENDURHDJY-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.59
Rot. Bonds6

About 2-ethyl-1-(3-ethylsulfanylpropyl)imidazole

2-ethyl-1-(3-ethylsulfanylpropyl)imidazole (PubChem CID 115769672) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-ethyl-1-(3-ethylsulfanylpropyl)imidazole.

Molecular Properties

Compound Name2-ethyl-1-(3-ethylsulfanylpropyl)imidazole
PubChem CID115769672
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2-ethyl-1-(3-ethylsulfanylpropyl)imidazole
SMILESCCSCCCn1ccnc1CC
InChIInChI=1S/C10H18N2S/c1-3-10-11-6-8-12(10)7-5-9-13-4-2/h6,8H,3-5,7,9H2,1-2H3
InChIKeyJAEQGENDURHDJY-UHFFFAOYSA-N
XLogP2.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.59
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-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
2-ethyl-1-(4-methylsulfanylbutyl)imidazole
CID 141069920
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole
CID 84592567
2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole
CID 116618214
4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine
CID 62440432
ethane;2-ethyl-1-(2-methoxyethyl)imidazole
CID 164585283
3-(2-ethylimidazol-1-yl)propanal
CID 63040378
6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine
CID 106800331
5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile
CID 65255231
(2-ethylimidazol-1-yl)methanamine
CID 122501271

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-ethylsulfanylpropyl)imidazole?
The IUPAC name of 2-ethyl-1-(3-ethylsulfanylpropyl)imidazole (CID 115769672) is 2-ethyl-1-(3-ethylsulfanylpropyl)imidazole.
What is the SMILES notation for 2-ethyl-1-(3-ethylsulfanylpropyl)imidazole?
The canonical SMILES for 2-ethyl-1-(3-ethylsulfanylpropyl)imidazole is CCSCCCn1ccnc1CC.
What is the InChIKey of 2-ethyl-1-(3-ethylsulfanylpropyl)imidazole?
The InChIKey is JAEQGENDURHDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-3-10-11-6-8-12(10)7-5-9-13-4-2/h6,8H,3-5,7,9H2,1-2H3.
What are the key properties of 2-ethyl-1-(3-ethylsulfanylpropyl)imidazole?
2-ethyl-1-(3-ethylsulfanylpropyl)imidazole has a molecular weight of 198.33 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-ethylsulfanylpropyl)imidazole is sourced from PubChem (CID 115769672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).