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

C8H18N2O4S — CID 172715394

IUPAC1,3-dimethyl-2-propyl-2H-imidazole;sulfuric acid
SMILESCCCC1N(C)C=CN1C.O=S(=O)(O)O
InChIInChI=1S/C8H16N2.H2O4S/c1-4-5-8-9(2)6-7-10(8)3;1-5(2,3)4/h6-8H,4-5H2,1-3H3;(H2,1,2,3,4)
InChIKeyFUIUHGKPPRLCMH-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.81
Rot. Bonds2

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

1,3-dimethyl-2-propyl-2H-imidazole;sulfuric acid (PubChem CID 172715394) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 1,3-dimethyl-2-propyl-2H-imidazole;sulfuric acid.

Molecular Properties

Compound Name1,3-dimethyl-2-propyl-2H-imidazole;sulfuric acid
PubChem CID172715394
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name1,3-dimethyl-2-propyl-2H-imidazole;sulfuric acid
SMILESCCCC1N(C)C=CN1C.O=S(=O)(O)O
InChIInChI=1S/C8H16N2.H2O4S/c1-4-5-8-9(2)6-7-10(8)3;1-5(2,3)4/h6-8H,4-5H2,1-3H3;(H2,1,2,3,4)
InChIKeyFUIUHGKPPRLCMH-UHFFFAOYSA-N
XLogP0.81
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-propyl-2H-imidazole;sulfuric acid?
The IUPAC name of 1,3-dimethyl-2-propyl-2H-imidazole;sulfuric acid (CID 172715394) is 1,3-dimethyl-2-propyl-2H-imidazole;sulfuric acid.
What is the SMILES notation for 1,3-dimethyl-2-propyl-2H-imidazole;sulfuric acid?
The canonical SMILES for 1,3-dimethyl-2-propyl-2H-imidazole;sulfuric acid is CCCC1N(C)C=CN1C.O=S(=O)(O)O.
What is the InChIKey of 1,3-dimethyl-2-propyl-2H-imidazole;sulfuric acid?
The InChIKey is FUIUHGKPPRLCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.H2O4S/c1-4-5-8-9(2)6-7-10(8)3;1-5(2,3)4/h6-8H,4-5H2,1-3H3;(H2,1,2,3,4).
What are the key properties of 1,3-dimethyl-2-propyl-2H-imidazole;sulfuric acid?
1,3-dimethyl-2-propyl-2H-imidazole;sulfuric acid has a molecular weight of 238.31 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-propyl-2H-imidazole;sulfuric acid is sourced from PubChem (CID 172715394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).