2-methyl-1,3-dipropyl-2H-imidazole;sulfuric acid

C10H22N2O4S — CID 67153869

IUPAC2-methyl-1,3-dipropyl-2H-imidazole;sulfuric acid
SMILESCCCN1C=CN(CCC)C1C.O=S(=O)(O)O
InChIInChI=1S/C10H20N2.H2O4S/c1-4-6-11-8-9-12(7-5-2)10(11)3;1-5(2,3)4/h8-10H,4-7H2,1-3H3;(H2,1,2,3,4)
InChIKeyCNJMTIGGCWGXPL-UHFFFAOYSA-N
MW266.36 g/mol
LogP1.59
Rot. Bonds4

About 2-methyl-1,3-dipropyl-2H-imidazole;sulfuric acid

2-methyl-1,3-dipropyl-2H-imidazole;sulfuric acid (PubChem CID 67153869) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-methyl-1,3-dipropyl-2H-imidazole;sulfuric acid.

Molecular Properties

Compound Name2-methyl-1,3-dipropyl-2H-imidazole;sulfuric acid
PubChem CID67153869
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name2-methyl-1,3-dipropyl-2H-imidazole;sulfuric acid
SMILESCCCN1C=CN(CCC)C1C.O=S(=O)(O)O
InChIInChI=1S/C10H20N2.H2O4S/c1-4-6-11-8-9-12(7-5-2)10(11)3;1-5(2,3)4/h8-10H,4-7H2,1-3H3;(H2,1,2,3,4)
InChIKeyCNJMTIGGCWGXPL-UHFFFAOYSA-N
XLogP1.59
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 51.59
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 2-methyl-1,3-dipropyl-2H-imidazole;sulfuric acid?
The IUPAC name of 2-methyl-1,3-dipropyl-2H-imidazole;sulfuric acid (CID 67153869) is 2-methyl-1,3-dipropyl-2H-imidazole;sulfuric acid.
What is the SMILES notation for 2-methyl-1,3-dipropyl-2H-imidazole;sulfuric acid?
The canonical SMILES for 2-methyl-1,3-dipropyl-2H-imidazole;sulfuric acid is CCCN1C=CN(CCC)C1C.O=S(=O)(O)O.
What is the InChIKey of 2-methyl-1,3-dipropyl-2H-imidazole;sulfuric acid?
The InChIKey is CNJMTIGGCWGXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.H2O4S/c1-4-6-11-8-9-12(7-5-2)10(11)3;1-5(2,3)4/h8-10H,4-7H2,1-3H3;(H2,1,2,3,4).
What are the key properties of 2-methyl-1,3-dipropyl-2H-imidazole;sulfuric acid?
2-methyl-1,3-dipropyl-2H-imidazole;sulfuric acid has a molecular weight of 266.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dipropyl-2H-imidazole;sulfuric acid is sourced from PubChem (CID 67153869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).