1-(2-methylpropyl)-4,5-dihydroimidazole;sulfuric acid

C7H16N2O4S — CID 161315431

IUPAC1-(2-methylpropyl)-4,5-dihydroimidazole;sulfuric acid
SMILESCC(C)CN1C=NCC1.O=S(=O)(O)O
InChIInChI=1S/C7H14N2.H2O4S/c1-7(2)5-9-4-3-8-6-9;1-5(2,3)4/h6-7H,3-5H2,1-2H3;(H2,1,2,3,4)
InChIKeyVJKWZYYLRXJHTD-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.33
Rot. Bonds2

About 1-(2-methylpropyl)-4,5-dihydroimidazole;sulfuric acid

1-(2-methylpropyl)-4,5-dihydroimidazole;sulfuric acid (PubChem CID 161315431) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4,5-dihydroimidazole;sulfuric acid.

Molecular Properties

Compound Name1-(2-methylpropyl)-4,5-dihydroimidazole;sulfuric acid
PubChem CID161315431
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name1-(2-methylpropyl)-4,5-dihydroimidazole;sulfuric acid
SMILESCC(C)CN1C=NCC1.O=S(=O)(O)O
InChIInChI=1S/C7H14N2.H2O4S/c1-7(2)5-9-4-3-8-6-9;1-5(2,3)4/h6-7H,3-5H2,1-2H3;(H2,1,2,3,4)
InChIKeyVJKWZYYLRXJHTD-UHFFFAOYSA-N
XLogP0.33
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.33
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-(2-methylpropyl)-4,5-dihydroimidazole;sulfuric acid?
The IUPAC name of 1-(2-methylpropyl)-4,5-dihydroimidazole;sulfuric acid (CID 161315431) is 1-(2-methylpropyl)-4,5-dihydroimidazole;sulfuric acid.
What is the SMILES notation for 1-(2-methylpropyl)-4,5-dihydroimidazole;sulfuric acid?
The canonical SMILES for 1-(2-methylpropyl)-4,5-dihydroimidazole;sulfuric acid is CC(C)CN1C=NCC1.O=S(=O)(O)O.
What is the InChIKey of 1-(2-methylpropyl)-4,5-dihydroimidazole;sulfuric acid?
The InChIKey is VJKWZYYLRXJHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.H2O4S/c1-7(2)5-9-4-3-8-6-9;1-5(2,3)4/h6-7H,3-5H2,1-2H3;(H2,1,2,3,4).
What are the key properties of 1-(2-methylpropyl)-4,5-dihydroimidazole;sulfuric acid?
1-(2-methylpropyl)-4,5-dihydroimidazole;sulfuric acid has a molecular weight of 224.28 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4,5-dihydroimidazole;sulfuric acid is sourced from PubChem (CID 161315431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).