1-butyl-2,3-dimethyl-2H-imidazole;sulfuric acid

C9H20N2O4S — CID 68973781

IUPAC1-butyl-2,3-dimethyl-2H-imidazole;sulfuric acid
SMILESCCCCN1C=CN(C)C1C.O=S(=O)(O)O
InChIInChI=1S/C9H18N2.H2O4S/c1-4-5-6-11-8-7-10(3)9(11)2;1-5(2,3)4/h7-9H,4-6H2,1-3H3;(H2,1,2,3,4)
InChIKeyAYZKSIYNFDSMLQ-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.20
Rot. Bonds3

About 1-butyl-2,3-dimethyl-2H-imidazole;sulfuric acid

1-butyl-2,3-dimethyl-2H-imidazole;sulfuric acid (PubChem CID 68973781) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-butyl-2,3-dimethyl-2H-imidazole;sulfuric acid.

Molecular Properties

Compound Name1-butyl-2,3-dimethyl-2H-imidazole;sulfuric acid
PubChem CID68973781
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name1-butyl-2,3-dimethyl-2H-imidazole;sulfuric acid
SMILESCCCCN1C=CN(C)C1C.O=S(=O)(O)O
InChIInChI=1S/C9H18N2.H2O4S/c1-4-5-6-11-8-7-10(3)9(11)2;1-5(2,3)4/h7-9H,4-6H2,1-3H3;(H2,1,2,3,4)
InChIKeyAYZKSIYNFDSMLQ-UHFFFAOYSA-N
XLogP1.20
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,3-dimethyl-2H-imidazole;sulfuric acid?
The IUPAC name of 1-butyl-2,3-dimethyl-2H-imidazole;sulfuric acid (CID 68973781) is 1-butyl-2,3-dimethyl-2H-imidazole;sulfuric acid.
What is the SMILES notation for 1-butyl-2,3-dimethyl-2H-imidazole;sulfuric acid?
The canonical SMILES for 1-butyl-2,3-dimethyl-2H-imidazole;sulfuric acid is CCCCN1C=CN(C)C1C.O=S(=O)(O)O.
What is the InChIKey of 1-butyl-2,3-dimethyl-2H-imidazole;sulfuric acid?
The InChIKey is AYZKSIYNFDSMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.H2O4S/c1-4-5-6-11-8-7-10(3)9(11)2;1-5(2,3)4/h7-9H,4-6H2,1-3H3;(H2,1,2,3,4).
What are the key properties of 1-butyl-2,3-dimethyl-2H-imidazole;sulfuric acid?
1-butyl-2,3-dimethyl-2H-imidazole;sulfuric acid has a molecular weight of 252.34 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,3-dimethyl-2H-imidazole;sulfuric acid is sourced from PubChem (CID 68973781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).