1-butyl-3-methyl-2H-imidazole;1-ethyl-3-methyl-2H-imidazole;methyl hydrogen sulfate

C15H32N4O4S — CID 175297657

IUPAC1-butyl-3-methyl-2H-imidazole;1-ethyl-3-methyl-2H-imidazole;methyl hydrogen sulfate
SMILESCCCCN1C=CN(C)C1.CCN1C=CN(C)C1.COS(=O)(=O)O
InChIInChI=1S/C8H16N2.C6H12N2.CH4O4S/c1-3-4-5-10-7-6-9(2)8-10;1-3-8-5-4-7(2)6-8;1-5-6(2,3)4/h6-7H,3-5,8H2,1-2H3;4-5H,3,6H2,1-2H3;1H3,(H,2,3,4)
InChIKeyRAXVPYLBQOCFHE-UHFFFAOYSA-N
MW364.51 g/mol
LogP1.58
Rot. Bonds5

About 1-butyl-3-methyl-2H-imidazole;1-ethyl-3-methyl-2H-imidazole;methyl hydrogen sulfate

1-butyl-3-methyl-2H-imidazole;1-ethyl-3-methyl-2H-imidazole;methyl hydrogen sulfate (PubChem CID 175297657) has the molecular formula C15H32N4O4S and a molecular weight of 364.51 g/mol. Its IUPAC name is 1-butyl-3-methyl-2H-imidazole;1-ethyl-3-methyl-2H-imidazole;methyl hydrogen sulfate.

Molecular Properties

Compound Name1-butyl-3-methyl-2H-imidazole;1-ethyl-3-methyl-2H-imidazole;methyl hydrogen sulfate
PubChem CID175297657
Molecular FormulaC15H32N4O4S
Molecular Weight364.51 g/mol
Exact Mass364.21
IUPAC Name1-butyl-3-methyl-2H-imidazole;1-ethyl-3-methyl-2H-imidazole;methyl hydrogen sulfate
SMILESCCCCN1C=CN(C)C1.CCN1C=CN(C)C1.COS(=O)(=O)O
InChIInChI=1S/C8H16N2.C6H12N2.CH4O4S/c1-3-4-5-10-7-6-9(2)8-10;1-3-8-5-4-7(2)6-8;1-5-6(2,3)4/h6-7H,3-5,8H2,1-2H3;4-5H,3,6H2,1-2H3;1H3,(H,2,3,4)
InChIKeyRAXVPYLBQOCFHE-UHFFFAOYSA-N
XLogP1.58
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-dodecyl-3-methyl-2H-imidazole;sulfo hydrogen sulfate
CID 174593258
bis(1-butyl-3-methyl-2H-imidazole);chloromethane;bis(1,3-dibutyl-2H-imidazole);1,3-diethyl-2H-imidazole;tris(1,3-dimethyl-2H-imidazole);ethane;1-ethyl-3-methyl-2H-imidazole;methyl acetate
CID 162283428
1-butyl-3-methyl-2H-imidazole
CID 10265934
1-hexadecyl-3-methyl-2H-imidazole;methanesulfonic acid
CID 174775382
1-ethyl-3-methyl-2H-imidazole;octadecane-1-sulfonic acid
CID 162017919
1-butyl-3-methyl-2H-imidazole;phosphorous acid
CID 174659773
methyl hydrogen sulfate;1-methyl-3-(2-propylheptyl)-2H-imidazole
CID 174732744
1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929
tripotassium;1-butyl-3-methyl-2H-imidazole;hydride
CID 174886963
1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride
CID 173166047
1-methyl-3-octyl-2H-imidazole;bis(trifluoromethanesulfonic acid)
CID 175946209
1-butyl-3-methyl-2H-imidazole;tetrakis(carbonofluoridic acid)
CID 175410531

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2H-imidazole;1-ethyl-3-methyl-2H-imidazole;methyl hydrogen sulfate?
The IUPAC name of 1-butyl-3-methyl-2H-imidazole;1-ethyl-3-methyl-2H-imidazole;methyl hydrogen sulfate (CID 175297657) is 1-butyl-3-methyl-2H-imidazole;1-ethyl-3-methyl-2H-imidazole;methyl hydrogen sulfate.
What is the SMILES notation for 1-butyl-3-methyl-2H-imidazole;1-ethyl-3-methyl-2H-imidazole;methyl hydrogen sulfate?
The canonical SMILES for 1-butyl-3-methyl-2H-imidazole;1-ethyl-3-methyl-2H-imidazole;methyl hydrogen sulfate is CCCCN1C=CN(C)C1.CCN1C=CN(C)C1.COS(=O)(=O)O.
What is the InChIKey of 1-butyl-3-methyl-2H-imidazole;1-ethyl-3-methyl-2H-imidazole;methyl hydrogen sulfate?
The InChIKey is RAXVPYLBQOCFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C6H12N2.CH4O4S/c1-3-4-5-10-7-6-9(2)8-10;1-3-8-5-4-7(2)6-8;1-5-6(2,3)4/h6-7H,3-5,8H2,1-2H3;4-5H,3,6H2,1-2H3;1H3,(H,2,3,4).
What are the key properties of 1-butyl-3-methyl-2H-imidazole;1-ethyl-3-methyl-2H-imidazole;methyl hydrogen sulfate?
1-butyl-3-methyl-2H-imidazole;1-ethyl-3-methyl-2H-imidazole;methyl hydrogen sulfate has a molecular weight of 364.51 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2H-imidazole;1-ethyl-3-methyl-2H-imidazole;methyl hydrogen sulfate is sourced from PubChem (CID 175297657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).