1-(4,5-dihydroimidazol-1-yl)ethanol;sulfuric acid

C5H12N2O5S — CID 22728258

IUPAC1-(4,5-dihydroimidazol-1-yl)ethanol;sulfuric acid
SMILESCC(O)N1C=NCC1.O=S(=O)(O)O
InChIInChI=1S/C5H10N2O.H2O4S/c1-5(8)7-3-2-6-4-7;1-5(2,3)4/h4-5,8H,2-3H2,1H3;(H2,1,2,3,4)
InChIKeyHQPFDJWEYQGONM-UHFFFAOYSA-N
MW212.23 g/mol
LogP-0.98
Rot. Bonds1

About 1-(4,5-dihydroimidazol-1-yl)ethanol;sulfuric acid

1-(4,5-dihydroimidazol-1-yl)ethanol;sulfuric acid (PubChem CID 22728258) has the molecular formula C5H12N2O5S and a molecular weight of 212.23 g/mol. Its IUPAC name is 1-(4,5-dihydroimidazol-1-yl)ethanol;sulfuric acid.

Molecular Properties

Compound Name1-(4,5-dihydroimidazol-1-yl)ethanol;sulfuric acid
PubChem CID22728258
Molecular FormulaC5H12N2O5S
Molecular Weight212.23 g/mol
Exact Mass212.05
IUPAC Name1-(4,5-dihydroimidazol-1-yl)ethanol;sulfuric acid
SMILESCC(O)N1C=NCC1.O=S(=O)(O)O
InChIInChI=1S/C5H10N2O.H2O4S/c1-5(8)7-3-2-6-4-7;1-5(2,3)4/h4-5,8H,2-3H2,1H3;(H2,1,2,3,4)
InChIKeyHQPFDJWEYQGONM-UHFFFAOYSA-N
XLogP-0.98
TPSA110.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.98
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

1-Hydroxyethyl-2-imidazoline
CID 18008153
1-Ethyl-4,5-dihydroimidazole;methyl hydrogen sulfate
CID 22623778
4,5-Dihydroimidazol-1-ylmethyl hydrogen sulfate
CID 57104979
2-(4,5-Dihydroimidazol-1-yl)ethanol;sulfuric acid
CID 69503072
1-(2,3-Dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol;methyl sulfate
CID 87639593
2-(4,5-Dihydroimidazol-1-yl)ethyl hydrogen sulfate
CID 88354356
1-Methyl-4,5-dihydroimidazole;methyl hydrogen sulfate
CID 88452393
1-Ethyl-4,5-dihydroimidazole;ethyl hydrogen sulfate
CID 88452472
1-(1-Ethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol;ethyl sulfate
CID 140442350
CID 172751270
CID 172751270
Disodium;2-(4,5-dihydroimidazol-1-yl)ethanol;sulfate
CID 172820340
Sodium;1-(4,5-dihydroimidazol-1-yl)ethanol;hydride;sulfuric acid
CID 173672659

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydroimidazol-1-yl)ethanol;sulfuric acid?
The IUPAC name of 1-(4,5-dihydroimidazol-1-yl)ethanol;sulfuric acid (CID 22728258) is 1-(4,5-dihydroimidazol-1-yl)ethanol;sulfuric acid.
What is the SMILES notation for 1-(4,5-dihydroimidazol-1-yl)ethanol;sulfuric acid?
The canonical SMILES for 1-(4,5-dihydroimidazol-1-yl)ethanol;sulfuric acid is CC(O)N1C=NCC1.O=S(=O)(O)O.
What is the InChIKey of 1-(4,5-dihydroimidazol-1-yl)ethanol;sulfuric acid?
The InChIKey is HQPFDJWEYQGONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.H2O4S/c1-5(8)7-3-2-6-4-7;1-5(2,3)4/h4-5,8H,2-3H2,1H3;(H2,1,2,3,4).
What are the key properties of 1-(4,5-dihydroimidazol-1-yl)ethanol;sulfuric acid?
1-(4,5-dihydroimidazol-1-yl)ethanol;sulfuric acid has a molecular weight of 212.23 g/mol, XLogP of -0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydroimidazol-1-yl)ethanol;sulfuric acid is sourced from PubChem (CID 22728258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).