2-(1-methylimidazol-2-yl)ethanol;sulfuric acid

C6H12N2O5S — CID 90239240

IUPAC2-(1-methylimidazol-2-yl)ethanol;sulfuric acid
SMILESCn1ccnc1CCO.O=S(=O)(O)O
InChIInChI=1S/C6H10N2O.H2O4S/c1-8-4-3-7-6(8)2-5-9;1-5(2,3)4/h3-4,9H,2,5H2,1H3;(H2,1,2,3,4)
InChIKeyUMKRFHQYQFBVIM-UHFFFAOYSA-N
MW224.24 g/mol
LogP-0.70
Rot. Bonds2

About 2-(1-methylimidazol-2-yl)ethanol;sulfuric acid

2-(1-methylimidazol-2-yl)ethanol;sulfuric acid (PubChem CID 90239240) has the molecular formula C6H12N2O5S and a molecular weight of 224.24 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)ethanol;sulfuric acid.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)ethanol;sulfuric acid
PubChem CID90239240
Molecular FormulaC6H12N2O5S
Molecular Weight224.24 g/mol
Exact Mass224.05
IUPAC Name2-(1-methylimidazol-2-yl)ethanol;sulfuric acid
SMILESCn1ccnc1CCO.O=S(=O)(O)O
InChIInChI=1S/C6H10N2O.H2O4S/c1-8-4-3-7-6(8)2-5-9;1-5(2,3)4/h3-4,9H,2,5H2,1H3;(H2,1,2,3,4)
InChIKeyUMKRFHQYQFBVIM-UHFFFAOYSA-N
XLogP-0.70
TPSA112.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 67392091
2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol
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1-[4-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;sulfuric acid
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CID 114531881
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CID 175058190

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)ethanol;sulfuric acid?
The IUPAC name of 2-(1-methylimidazol-2-yl)ethanol;sulfuric acid (CID 90239240) is 2-(1-methylimidazol-2-yl)ethanol;sulfuric acid.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)ethanol;sulfuric acid?
The canonical SMILES for 2-(1-methylimidazol-2-yl)ethanol;sulfuric acid is Cn1ccnc1CCO.O=S(=O)(O)O.
What is the InChIKey of 2-(1-methylimidazol-2-yl)ethanol;sulfuric acid?
The InChIKey is UMKRFHQYQFBVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.H2O4S/c1-8-4-3-7-6(8)2-5-9;1-5(2,3)4/h3-4,9H,2,5H2,1H3;(H2,1,2,3,4).
What are the key properties of 2-(1-methylimidazol-2-yl)ethanol;sulfuric acid?
2-(1-methylimidazol-2-yl)ethanol;sulfuric acid has a molecular weight of 224.24 g/mol, XLogP of -0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)ethanol;sulfuric acid is sourced from PubChem (CID 90239240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).