2-hexyl-5-methyl-1H-imidazole;sulfuric acid

C10H20N2O4S — CID 175268220

IUPAC2-hexyl-5-methyl-1H-imidazole;sulfuric acid
SMILESCCCCCCc1ncc(C)[nH]1.O=S(=O)(O)O
InChIInChI=1S/C10H18N2.H2O4S/c1-3-4-5-6-7-10-11-8-9(2)12-10;1-5(2,3)4/h8H,3-7H2,1-2H3,(H,11,12);(H2,1,2,3,4)
InChIKeyDKYKNBZBKBECMS-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.19
Rot. Bonds5

About 2-hexyl-5-methyl-1H-imidazole;sulfuric acid

2-hexyl-5-methyl-1H-imidazole;sulfuric acid (PubChem CID 175268220) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-hexyl-5-methyl-1H-imidazole;sulfuric acid.

Molecular Properties

Compound Name2-hexyl-5-methyl-1H-imidazole;sulfuric acid
PubChem CID175268220
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-hexyl-5-methyl-1H-imidazole;sulfuric acid
SMILESCCCCCCc1ncc(C)[nH]1.O=S(=O)(O)O
InChIInChI=1S/C10H18N2.H2O4S/c1-3-4-5-6-7-10-11-8-9(2)12-10;1-5(2,3)4/h8H,3-7H2,1-2H3,(H,11,12);(H2,1,2,3,4)
InChIKeyDKYKNBZBKBECMS-UHFFFAOYSA-N
XLogP2.19
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-butyl-5-tetradecyl-1H-imidazole;nitric acid
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CID 91872702

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-5-methyl-1H-imidazole;sulfuric acid?
The IUPAC name of 2-hexyl-5-methyl-1H-imidazole;sulfuric acid (CID 175268220) is 2-hexyl-5-methyl-1H-imidazole;sulfuric acid.
What is the SMILES notation for 2-hexyl-5-methyl-1H-imidazole;sulfuric acid?
The canonical SMILES for 2-hexyl-5-methyl-1H-imidazole;sulfuric acid is CCCCCCc1ncc(C)[nH]1.O=S(=O)(O)O.
What is the InChIKey of 2-hexyl-5-methyl-1H-imidazole;sulfuric acid?
The InChIKey is DKYKNBZBKBECMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.H2O4S/c1-3-4-5-6-7-10-11-8-9(2)12-10;1-5(2,3)4/h8H,3-7H2,1-2H3,(H,11,12);(H2,1,2,3,4).
What are the key properties of 2-hexyl-5-methyl-1H-imidazole;sulfuric acid?
2-hexyl-5-methyl-1H-imidazole;sulfuric acid has a molecular weight of 264.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-5-methyl-1H-imidazole;sulfuric acid is sourced from PubChem (CID 175268220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).