1-ethyl-3-methyl-2H-imidazole;methanesulfonate

C7H15N2O3S- — CID 18552291

IUPAC1-ethyl-3-methyl-2H-imidazole;methanesulfonate
SMILESCCN1C=CN(C)C1.CS(=O)(=O)[O-]
InChIInChI=1S/C6H12N2.CH4O3S/c1-3-8-5-4-7(2)6-8;1-5(2,3)4/h4-5H,3,6H2,1-2H3;1H3,(H,2,3,4)/p-1
InChIKeyRILPVBCCHVYIJF-UHFFFAOYSA-M
MW207.28 g/mol
LogP-0.16
Rot. Bonds1

About 1-ethyl-3-methyl-2H-imidazole;methanesulfonate

1-ethyl-3-methyl-2H-imidazole;methanesulfonate (PubChem CID 18552291) has the molecular formula C7H15N2O3S- and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2H-imidazole;methanesulfonate.

Molecular Properties

Compound Name1-ethyl-3-methyl-2H-imidazole;methanesulfonate
PubChem CID18552291
Molecular FormulaC7H15N2O3S-
Molecular Weight207.28 g/mol
Exact Mass207.08
IUPAC Name1-ethyl-3-methyl-2H-imidazole;methanesulfonate
SMILESCCN1C=CN(C)C1.CS(=O)(=O)[O-]
InChIInChI=1S/C6H12N2.CH4O3S/c1-3-8-5-4-7(2)6-8;1-5(2,3)4/h4-5H,3,6H2,1-2H3;1H3,(H,2,3,4)/p-1
InChIKeyRILPVBCCHVYIJF-UHFFFAOYSA-M
XLogP-0.16
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-ethyl-3-methyl-2H-imidazole;methanesulfonate?
The IUPAC name of 1-ethyl-3-methyl-2H-imidazole;methanesulfonate (CID 18552291) is 1-ethyl-3-methyl-2H-imidazole;methanesulfonate.
What is the SMILES notation for 1-ethyl-3-methyl-2H-imidazole;methanesulfonate?
The canonical SMILES for 1-ethyl-3-methyl-2H-imidazole;methanesulfonate is CCN1C=CN(C)C1.CS(=O)(=O)[O-].
What is the InChIKey of 1-ethyl-3-methyl-2H-imidazole;methanesulfonate?
The InChIKey is RILPVBCCHVYIJF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12N2.CH4O3S/c1-3-8-5-4-7(2)6-8;1-5(2,3)4/h4-5H,3,6H2,1-2H3;1H3,(H,2,3,4)/p-1.
What are the key properties of 1-ethyl-3-methyl-2H-imidazole;methanesulfonate?
1-ethyl-3-methyl-2H-imidazole;methanesulfonate has a molecular weight of 207.28 g/mol, XLogP of -0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2H-imidazole;methanesulfonate is sourced from PubChem (CID 18552291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).