2-ethyl-1-(4-methylsulfanylbutyl)imidazole

C10H18N2S — CID 141069920

IUPAC2-ethyl-1-(4-methylsulfanylbutyl)imidazole
SMILESCCc1nccn1CCCCSC
InChIInChI=1S/C10H18N2S/c1-3-10-11-6-8-12(10)7-4-5-9-13-2/h6,8H,3-5,7,9H2,1-2H3
InChIKeyDKVAJUAGOCBFQV-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.59
Rot. Bonds6

About 2-ethyl-1-(4-methylsulfanylbutyl)imidazole

2-ethyl-1-(4-methylsulfanylbutyl)imidazole (PubChem CID 141069920) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-ethyl-1-(4-methylsulfanylbutyl)imidazole.

Molecular Properties

Compound Name2-ethyl-1-(4-methylsulfanylbutyl)imidazole
PubChem CID141069920
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2-ethyl-1-(4-methylsulfanylbutyl)imidazole
SMILESCCc1nccn1CCCCSC
InChIInChI=1S/C10H18N2S/c1-3-10-11-6-8-12(10)7-4-5-9-13-2/h6,8H,3-5,7,9H2,1-2H3
InChIKeyDKVAJUAGOCBFQV-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'}

Analyze 2-ethyl-1-(4-methylsulfanylbutyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
2-ethyl-1-(3-ethylsulfanylpropyl)imidazole
CID 115769672
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
1-butyl-2-(2-methylsulfanylethyl)imidazole;platinum
CID 174536207
4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine
CID 62440432
2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole
CID 116618214
3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344
2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole
CID 84592567
5-(2-ethylimidazol-1-yl)-N'-hydroxypentanimidamide
CID 109374642
1-butyl-2-(methylsulfanylmethyl)imidazole;oxalate;platinum(2+)
CID 11340299
1,2-di(pentadecyl)imidazole
CID 69388452

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methylsulfanylbutyl)imidazole?
The IUPAC name of 2-ethyl-1-(4-methylsulfanylbutyl)imidazole (CID 141069920) is 2-ethyl-1-(4-methylsulfanylbutyl)imidazole.
What is the SMILES notation for 2-ethyl-1-(4-methylsulfanylbutyl)imidazole?
The canonical SMILES for 2-ethyl-1-(4-methylsulfanylbutyl)imidazole is CCc1nccn1CCCCSC.
What is the InChIKey of 2-ethyl-1-(4-methylsulfanylbutyl)imidazole?
The InChIKey is DKVAJUAGOCBFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-3-10-11-6-8-12(10)7-4-5-9-13-2/h6,8H,3-5,7,9H2,1-2H3.
What are the key properties of 2-ethyl-1-(4-methylsulfanylbutyl)imidazole?
2-ethyl-1-(4-methylsulfanylbutyl)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-(4-methylsulfanylbutyl)imidazole is sourced from PubChem (CID 141069920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).