1-ethyl-4,5-dihydroimidazole;sulfuric acid

C5H12N2O4S — CID 175199109

IUPAC1-ethyl-4,5-dihydroimidazole;sulfuric acid
SMILESCCN1C=NCC1.O=S(=O)(O)O
InChIInChI=1S/C5H10N2.H2O4S/c1-2-7-4-3-6-5-7;1-5(2,3)4/h5H,2-4H2,1H3;(H2,1,2,3,4)
InChIKeyVBWUIJRWLNWBKU-UHFFFAOYSA-N
MW196.23 g/mol
LogP-0.30
Rot. Bonds1

About 1-ethyl-4,5-dihydroimidazole;sulfuric acid

1-ethyl-4,5-dihydroimidazole;sulfuric acid (PubChem CID 175199109) has the molecular formula C5H12N2O4S and a molecular weight of 196.23 g/mol. Its IUPAC name is 1-ethyl-4,5-dihydroimidazole;sulfuric acid.

Molecular Properties

Compound Name1-ethyl-4,5-dihydroimidazole;sulfuric acid
PubChem CID175199109
Molecular FormulaC5H12N2O4S
Molecular Weight196.23 g/mol
Exact Mass196.05
IUPAC Name1-ethyl-4,5-dihydroimidazole;sulfuric acid
SMILESCCN1C=NCC1.O=S(=O)(O)O
InChIInChI=1S/C5H10N2.H2O4S/c1-2-7-4-3-6-5-7;1-5(2,3)4/h5H,2-4H2,1H3;(H2,1,2,3,4)
InChIKeyVBWUIJRWLNWBKU-UHFFFAOYSA-N
XLogP-0.30
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-3-methyl-4,5-dihydroimidazol-3-ium;methyl sulfate
CID 18955818
1-Ethyl-4,5-dihydroimidazole;methyl hydrogen sulfate
CID 22623778
1-(4,5-Dihydroimidazol-1-yl)ethanol;sulfuric acid
CID 22728258
4,5-Dihydroimidazol-1-ylmethyl hydrogen sulfate
CID 57104979
1,1-Dimethyl-4,5-dihydroimidazol-1-ium;methyl sulfate
CID 87521878
1,1-Dimethyl-4,5-dihydroimidazol-1-ium;dimethyl sulfate
CID 87995495
1-Methyl-4,5-dihydroimidazole;methyl hydrogen sulfate
CID 88452393
1-Ethyl-4,5-dihydroimidazole;ethyl hydrogen sulfate
CID 88452472
1-Methyl-4,5-dihydroimidazole;sulfuric acid
CID 157265167
1-(2-Methylpropyl)-4,5-dihydroimidazole;sulfuric acid
CID 161315431
1,2-Dimethyl-4,5-dihydroimidazole;methyl hydrogen sulfate
CID 173098378
2-(4,5-Dihydroimidazol-1-yl)ethanamine;methyl hydrogen sulfate
CID 173422436

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,5-dihydroimidazole;sulfuric acid?
The IUPAC name of 1-ethyl-4,5-dihydroimidazole;sulfuric acid (CID 175199109) is 1-ethyl-4,5-dihydroimidazole;sulfuric acid.
What is the SMILES notation for 1-ethyl-4,5-dihydroimidazole;sulfuric acid?
The canonical SMILES for 1-ethyl-4,5-dihydroimidazole;sulfuric acid is CCN1C=NCC1.O=S(=O)(O)O.
What is the InChIKey of 1-ethyl-4,5-dihydroimidazole;sulfuric acid?
The InChIKey is VBWUIJRWLNWBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.H2O4S/c1-2-7-4-3-6-5-7;1-5(2,3)4/h5H,2-4H2,1H3;(H2,1,2,3,4).
What are the key properties of 1-ethyl-4,5-dihydroimidazole;sulfuric acid?
1-ethyl-4,5-dihydroimidazole;sulfuric acid has a molecular weight of 196.23 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,5-dihydroimidazole;sulfuric acid is sourced from PubChem (CID 175199109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).