1-decyl-2,3-dimethyl-2H-imidazole;methanesulfonic acid

C16H34N2O3S — CID 175868504

IUPAC1-decyl-2,3-dimethyl-2H-imidazole;methanesulfonic acid
SMILESCCCCCCCCCCN1C=CN(C)C1C.CS(=O)(=O)O
InChIInChI=1S/C15H30N2.CH4O3S/c1-4-5-6-7-8-9-10-11-12-17-14-13-16(3)15(17)2;1-5(2,3)4/h13-15H,4-12H2,1-3H3;1H3,(H,2,3,4)
InChIKeyXUBWHTVTPKURAP-UHFFFAOYSA-N
MW334.53 g/mol
LogP3.70
Rot. Bonds9

About 1-decyl-2,3-dimethyl-2H-imidazole;methanesulfonic acid

1-decyl-2,3-dimethyl-2H-imidazole;methanesulfonic acid (PubChem CID 175868504) has the molecular formula C16H34N2O3S and a molecular weight of 334.53 g/mol. Its IUPAC name is 1-decyl-2,3-dimethyl-2H-imidazole;methanesulfonic acid.

Molecular Properties

Compound Name1-decyl-2,3-dimethyl-2H-imidazole;methanesulfonic acid
PubChem CID175868504
Molecular FormulaC16H34N2O3S
Molecular Weight334.53 g/mol
Exact Mass334.23
IUPAC Name1-decyl-2,3-dimethyl-2H-imidazole;methanesulfonic acid
SMILESCCCCCCCCCCN1C=CN(C)C1C.CS(=O)(=O)O
InChIInChI=1S/C15H30N2.CH4O3S/c1-4-5-6-7-8-9-10-11-12-17-14-13-16(3)15(17)2;1-5(2,3)4/h13-15H,4-12H2,1-3H3;1H3,(H,2,3,4)
InChIKeyXUBWHTVTPKURAP-UHFFFAOYSA-N
XLogP3.70
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
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-dodecyl-2,3-dimethyl-2H-imidazole
CID 68900702
1,2-dimethyl-3-undecyl-2H-imidazole
CID 69386948
1,2-dimethyl-3-pentadecyl-2H-imidazole
CID 69388793
1-hexadecyl-2,3-dimethyl-2H-imidazole tetrafluoroborate
CID 174775383
2-methyl-1,3-dioctyl-2H-imidazole
CID 21393912
2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69387519
1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole
CID 69393888
1,3-diheptyl-2-methyl-2H-imidazole
CID 69394446
1,3-didecyl-2-methyl-2H-imidazole
CID 3018046
1-hexyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69392459
1-decyl-2-methyl-3-pentyl-2H-imidazole
CID 69391590
1-decyl-2-methyl-3-tridecyl-2H-imidazole
CID 69388587

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2,3-dimethyl-2H-imidazole;methanesulfonic acid?
The IUPAC name of 1-decyl-2,3-dimethyl-2H-imidazole;methanesulfonic acid (CID 175868504) is 1-decyl-2,3-dimethyl-2H-imidazole;methanesulfonic acid.
What is the SMILES notation for 1-decyl-2,3-dimethyl-2H-imidazole;methanesulfonic acid?
The canonical SMILES for 1-decyl-2,3-dimethyl-2H-imidazole;methanesulfonic acid is CCCCCCCCCCN1C=CN(C)C1C.CS(=O)(=O)O.
What is the InChIKey of 1-decyl-2,3-dimethyl-2H-imidazole;methanesulfonic acid?
The InChIKey is XUBWHTVTPKURAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.CH4O3S/c1-4-5-6-7-8-9-10-11-12-17-14-13-16(3)15(17)2;1-5(2,3)4/h13-15H,4-12H2,1-3H3;1H3,(H,2,3,4).
What are the key properties of 1-decyl-2,3-dimethyl-2H-imidazole;methanesulfonic acid?
1-decyl-2,3-dimethyl-2H-imidazole;methanesulfonic acid has a molecular weight of 334.53 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2,3-dimethyl-2H-imidazole;methanesulfonic acid is sourced from PubChem (CID 175868504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).