bis(1-propylimidazole);sulfuric acid

C12H22N4O4S — CID 86038795

IUPACbis(1-propylimidazole);sulfuric acid
SMILESCCCn1ccnc1.CCCn1ccnc1.O=S(=O)(O)O
InChIInChI=1S/2C6H10N2.H2O4S/c2*1-2-4-8-5-3-7-6-8;1-5(2,3)4/h2*3,5-6H,2,4H2,1H3;(H2,1,2,3,4)
InChIKeyHSGDISQFVFNHRW-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.93
Rot. Bonds4

About bis(1-propylimidazole);sulfuric acid

bis(1-propylimidazole);sulfuric acid (PubChem CID 86038795) has the molecular formula C12H22N4O4S and a molecular weight of 318.40 g/mol. Its IUPAC name is bis(1-propylimidazole);sulfuric acid.

Molecular Properties

Compound Namebis(1-propylimidazole);sulfuric acid
PubChem CID86038795
Molecular FormulaC12H22N4O4S
Molecular Weight318.40 g/mol
Exact Mass318.14
IUPAC Namebis(1-propylimidazole);sulfuric acid
SMILESCCCn1ccnc1.CCCn1ccnc1.O=S(=O)(O)O
InChIInChI=1S/2C6H10N2.H2O4S/c2*1-2-4-8-5-3-7-6-8;1-5(2,3)4/h2*3,5-6H,2,4H2,1H3;(H2,1,2,3,4)
InChIKeyHSGDISQFVFNHRW-UHFFFAOYSA-N
XLogP1.93
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
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Frequently Asked Questions

What is the IUPAC name of bis(1-propylimidazole);sulfuric acid?
The IUPAC name of bis(1-propylimidazole);sulfuric acid (CID 86038795) is bis(1-propylimidazole);sulfuric acid.
What is the SMILES notation for bis(1-propylimidazole);sulfuric acid?
The canonical SMILES for bis(1-propylimidazole);sulfuric acid is CCCn1ccnc1.CCCn1ccnc1.O=S(=O)(O)O.
What is the InChIKey of bis(1-propylimidazole);sulfuric acid?
The InChIKey is HSGDISQFVFNHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10N2.H2O4S/c2*1-2-4-8-5-3-7-6-8;1-5(2,3)4/h2*3,5-6H,2,4H2,1H3;(H2,1,2,3,4).
What are the key properties of bis(1-propylimidazole);sulfuric acid?
bis(1-propylimidazole);sulfuric acid has a molecular weight of 318.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-propylimidazole);sulfuric acid is sourced from PubChem (CID 86038795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).