2-butyl-1-(2-methylsulfonylethyl)imidazole

C10H18N2O2S — CID 91437563

IUPAC2-butyl-1-(2-methylsulfonylethyl)imidazole
SMILESCCCCc1nccn1CCS(C)(=O)=O
InChIInChI=1S/C10H18N2O2S/c1-3-4-5-10-11-6-7-12(10)8-9-15(2,13)14/h6-7H,3-5,8-9H2,1-2H3
InChIKeyBEFUECPXDHVWKE-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.27
Rot. Bonds6

About 2-butyl-1-(2-methylsulfonylethyl)imidazole

2-butyl-1-(2-methylsulfonylethyl)imidazole (PubChem CID 91437563) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-butyl-1-(2-methylsulfonylethyl)imidazole.

Molecular Properties

Compound Name2-butyl-1-(2-methylsulfonylethyl)imidazole
PubChem CID91437563
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2-butyl-1-(2-methylsulfonylethyl)imidazole
SMILESCCCCc1nccn1CCS(C)(=O)=O
InChIInChI=1S/C10H18N2O2S/c1-3-4-5-10-11-6-7-12(10)8-9-15(2,13)14/h6-7H,3-5,8-9H2,1-2H3
InChIKeyBEFUECPXDHVWKE-UHFFFAOYSA-N
XLogP1.27
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Hexyl-3-methylimidazolium Trifluoromethanesulfonate
CID 2734247
1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate
CID 2734250
1-Butyl-3-methylimidazolium methanesulfonate
CID 11492381
1-methyl-3-octyl-1H-imidazol-3-ium 1,1,2,2-tetrafluoroethane-1-sulfonate
CID 87096018
1-(4-Sulfobutyl)-3-methylimidazolium hydrogen sulfate
CID 11290044
4-(3-Butyl-1-imidazolio)-1-butanesulfonic acid triflate
CID 11475374
1-Butyl-3-methylimidazolium 1,1,2,2-tetrafluoroethanesulfonate
CID 87095945
1-(8-Methanesulfinyl-octyl)-1H-imidazole
CID 12870534
1-(8-Methylsulfanyloctyl)imidazole
CID 12870533
6-Imidazol-1-ylhexane-1-sulfonic acid
CID 12870535
1-[(1-Ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine
CID 56802168
2-Hydroxyiminomethyl-3-methyl-1-(2'-methylsulfonylethyl)imidazolium chloride
CID 135906798

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(2-methylsulfonylethyl)imidazole?
The IUPAC name of 2-butyl-1-(2-methylsulfonylethyl)imidazole (CID 91437563) is 2-butyl-1-(2-methylsulfonylethyl)imidazole.
What is the SMILES notation for 2-butyl-1-(2-methylsulfonylethyl)imidazole?
The canonical SMILES for 2-butyl-1-(2-methylsulfonylethyl)imidazole is CCCCc1nccn1CCS(C)(=O)=O.
What is the InChIKey of 2-butyl-1-(2-methylsulfonylethyl)imidazole?
The InChIKey is BEFUECPXDHVWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-3-4-5-10-11-6-7-12(10)8-9-15(2,13)14/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 2-butyl-1-(2-methylsulfonylethyl)imidazole?
2-butyl-1-(2-methylsulfonylethyl)imidazole has a molecular weight of 230.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(2-methylsulfonylethyl)imidazole is sourced from PubChem (CID 91437563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).