1-butyl-3-methyl-2H-imidazole;sulfuric acid

C8H18N2O4S — CID 46898661

IUPAC1-butyl-3-methyl-2H-imidazole;sulfuric acid
SMILESCCCCN1C=CN(C)C1.O=S(=O)(O)O
InChIInChI=1S/C8H16N2.H2O4S/c1-3-4-5-10-7-6-9(2)8-10;1-5(2,3)4/h6-7H,3-5,8H2,1-2H3;(H2,1,2,3,4)
InChIKeyZNNXXAURXKYLQY-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.81
Rot. Bonds3

About 1-butyl-3-methyl-2H-imidazole;sulfuric acid

1-butyl-3-methyl-2H-imidazole;sulfuric acid (PubChem CID 46898661) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-butyl-3-methyl-2H-imidazole;sulfuric acid.

Molecular Properties

Compound Name1-butyl-3-methyl-2H-imidazole;sulfuric acid
PubChem CID46898661
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name1-butyl-3-methyl-2H-imidazole;sulfuric acid
SMILESCCCCN1C=CN(C)C1.O=S(=O)(O)O
InChIInChI=1S/C8H16N2.H2O4S/c1-3-4-5-10-7-6-9(2)8-10;1-5(2,3)4/h6-7H,3-5,8H2,1-2H3;(H2,1,2,3,4)
InChIKeyZNNXXAURXKYLQY-UHFFFAOYSA-N
XLogP0.81
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-butyl-3-methyl-2H-imidazole;sulfuric acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2H-imidazole;sulfuric acid?
The IUPAC name of 1-butyl-3-methyl-2H-imidazole;sulfuric acid (CID 46898661) is 1-butyl-3-methyl-2H-imidazole;sulfuric acid.
What is the SMILES notation for 1-butyl-3-methyl-2H-imidazole;sulfuric acid?
The canonical SMILES for 1-butyl-3-methyl-2H-imidazole;sulfuric acid is CCCCN1C=CN(C)C1.O=S(=O)(O)O.
What is the InChIKey of 1-butyl-3-methyl-2H-imidazole;sulfuric acid?
The InChIKey is ZNNXXAURXKYLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.H2O4S/c1-3-4-5-10-7-6-9(2)8-10;1-5(2,3)4/h6-7H,3-5,8H2,1-2H3;(H2,1,2,3,4).
What are the key properties of 1-butyl-3-methyl-2H-imidazole;sulfuric acid?
1-butyl-3-methyl-2H-imidazole;sulfuric acid has a molecular weight of 238.31 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2H-imidazole;sulfuric acid is sourced from PubChem (CID 46898661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).