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

C16H34N2O4S — CID 174520441

IUPAC1,2-dihexyl-3-methyl-2H-imidazole;sulfuric acid
SMILESCCCCCCC1N(C)C=CN1CCCCCC.O=S(=O)(O)O
InChIInChI=1S/C16H32N2.H2O4S/c1-4-6-8-10-12-16-17(3)14-15-18(16)13-11-9-7-5-2;1-5(2,3)4/h14-16H,4-13H2,1-3H3;(H2,1,2,3,4)
InChIKeyZSEKRUVFUVQNGH-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.93
Rot. Bonds10

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

1,2-dihexyl-3-methyl-2H-imidazole;sulfuric acid (PubChem CID 174520441) has the molecular formula C16H34N2O4S and a molecular weight of 350.53 g/mol. Its IUPAC name is 1,2-dihexyl-3-methyl-2H-imidazole;sulfuric acid.

Molecular Properties

Compound Name1,2-dihexyl-3-methyl-2H-imidazole;sulfuric acid
PubChem CID174520441
Molecular FormulaC16H34N2O4S
Molecular Weight350.53 g/mol
Exact Mass350.22
IUPAC Name1,2-dihexyl-3-methyl-2H-imidazole;sulfuric acid
SMILESCCCCCCC1N(C)C=CN1CCCCCC.O=S(=O)(O)O
InChIInChI=1S/C16H32N2.H2O4S/c1-4-6-8-10-12-16-17(3)14-15-18(16)13-11-9-7-5-2;1-5(2,3)4/h14-16H,4-13H2,1-3H3;(H2,1,2,3,4)
InChIKeyZSEKRUVFUVQNGH-UHFFFAOYSA-N
XLogP3.93
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-methyl-2,3-di(nonyl)-2H-imidazole
CID 69396034
2-heptyl-1-methyl-3-nonadecyl-2H-imidazole
CID 69392391
1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole
CID 69389602
2-heptyl-1-methyl-3-pentyl-2H-imidazole
CID 69387496
2-butyl-1-methyl-3-octyl-2H-imidazole
CID 69390542
2-butyl-1-dodecyl-3-methyl-2H-imidazole
CID 69393708
1-heptadecyl-2-hexyl-3-nonyl-2H-imidazole
CID 69387199
1-hexyl-3-octadecyl-2-octyl-2H-imidazole
CID 69393132
1-heptyl-2-hexadecyl-3-octyl-2H-imidazole
CID 69392232
2-heptyl-1-tetradecyl-3-undecyl-2H-imidazole
CID 69388972
1,2-dihexyl-3-nonadecyl-2H-imidazole
CID 69392043
1-hexadecyl-3-hexyl-2-nonyl-2H-imidazole
CID 69396389

Frequently Asked Questions

What is the IUPAC name of 1,2-dihexyl-3-methyl-2H-imidazole;sulfuric acid?
The IUPAC name of 1,2-dihexyl-3-methyl-2H-imidazole;sulfuric acid (CID 174520441) is 1,2-dihexyl-3-methyl-2H-imidazole;sulfuric acid.
What is the SMILES notation for 1,2-dihexyl-3-methyl-2H-imidazole;sulfuric acid?
The canonical SMILES for 1,2-dihexyl-3-methyl-2H-imidazole;sulfuric acid is CCCCCCC1N(C)C=CN1CCCCCC.O=S(=O)(O)O.
What is the InChIKey of 1,2-dihexyl-3-methyl-2H-imidazole;sulfuric acid?
The InChIKey is ZSEKRUVFUVQNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2.H2O4S/c1-4-6-8-10-12-16-17(3)14-15-18(16)13-11-9-7-5-2;1-5(2,3)4/h14-16H,4-13H2,1-3H3;(H2,1,2,3,4).
What are the key properties of 1,2-dihexyl-3-methyl-2H-imidazole;sulfuric acid?
1,2-dihexyl-3-methyl-2H-imidazole;sulfuric acid has a molecular weight of 350.53 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihexyl-3-methyl-2H-imidazole;sulfuric acid is sourced from PubChem (CID 174520441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).