1,2-dimethyl-4,5-dihydroimidazole;methyl hydrogen sulfate

C6H14N2O4S — CID 173098378

IUPAC1,2-dimethyl-4,5-dihydroimidazole;methyl hydrogen sulfate
SMILESCC1=NCCN1C.COS(=O)(=O)O
InChIInChI=1S/C5H10N2.CH4O4S/c1-5-6-3-4-7(5)2;1-5-6(2,3)4/h3-4H2,1-2H3;1H3,(H,2,3,4)
InChIKeyMYDCHHYHVGMVLX-UHFFFAOYSA-N
MW210.25 g/mol
LogP-0.21
Rot. Bonds1

About 1,2-dimethyl-4,5-dihydroimidazole;methyl hydrogen sulfate

1,2-dimethyl-4,5-dihydroimidazole;methyl hydrogen sulfate (PubChem CID 173098378) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is 1,2-dimethyl-4,5-dihydroimidazole;methyl hydrogen sulfate.

Molecular Properties

Compound Name1,2-dimethyl-4,5-dihydroimidazole;methyl hydrogen sulfate
PubChem CID173098378
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Name1,2-dimethyl-4,5-dihydroimidazole;methyl hydrogen sulfate
SMILESCC1=NCCN1C.COS(=O)(=O)O
InChIInChI=1S/C5H10N2.CH4O4S/c1-5-6-3-4-7(5)2;1-5-6(2,3)4/h3-4H2,1-2H3;1H3,(H,2,3,4)
InChIKeyMYDCHHYHVGMVLX-UHFFFAOYSA-N
XLogP-0.21
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-4,5-dihydroimidazole;methyl hydrogen sulfate
CID 22623778
4,5-Dihydroimidazol-1-ylmethyl hydrogen sulfate
CID 57104979
1-(2,3-Dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol;methyl sulfate
CID 87639593
1-Methyl-4,5-dihydroimidazole;methyl hydrogen sulfate
CID 88452393
2-methyl-4,5-dihydro-1H-imidazole;methyl hydrogen sulfate
CID 118482897
1-Ethyl-4,5-dihydroimidazole;sulfuric acid
CID 175199109
2-Methyl-4,5-dihydroimidazole-1-sulfinic acid
CID 142943364

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4,5-dihydroimidazole;methyl hydrogen sulfate?
The IUPAC name of 1,2-dimethyl-4,5-dihydroimidazole;methyl hydrogen sulfate (CID 173098378) is 1,2-dimethyl-4,5-dihydroimidazole;methyl hydrogen sulfate.
What is the SMILES notation for 1,2-dimethyl-4,5-dihydroimidazole;methyl hydrogen sulfate?
The canonical SMILES for 1,2-dimethyl-4,5-dihydroimidazole;methyl hydrogen sulfate is CC1=NCCN1C.COS(=O)(=O)O.
What is the InChIKey of 1,2-dimethyl-4,5-dihydroimidazole;methyl hydrogen sulfate?
The InChIKey is MYDCHHYHVGMVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.CH4O4S/c1-5-6-3-4-7(5)2;1-5-6(2,3)4/h3-4H2,1-2H3;1H3,(H,2,3,4).
What are the key properties of 1,2-dimethyl-4,5-dihydroimidazole;methyl hydrogen sulfate?
1,2-dimethyl-4,5-dihydroimidazole;methyl hydrogen sulfate has a molecular weight of 210.25 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4,5-dihydroimidazole;methyl hydrogen sulfate is sourced from PubChem (CID 173098378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).