4,5-dihydroimidazol-1-yl ethyl sulfate

C5H10N2O4S — CID 174981169

IUPAC4,5-dihydroimidazol-1-yl ethyl sulfate
SMILESCCOS(=O)(=O)ON1C=NCC1
InChIInChI=1S/C5H10N2O4S/c1-2-10-12(8,9)11-7-4-3-6-5-7/h5H,2-4H2,1H3
InChIKeyDYDWGBQFOUJDEO-UHFFFAOYSA-N
MW194.21 g/mol
LogP-0.46
Rot. Bonds4

About 4,5-dihydroimidazol-1-yl ethyl sulfate

4,5-dihydroimidazol-1-yl ethyl sulfate (PubChem CID 174981169) has the molecular formula C5H10N2O4S and a molecular weight of 194.21 g/mol. Its IUPAC name is 4,5-dihydroimidazol-1-yl ethyl sulfate.

Molecular Properties

Compound Name4,5-dihydroimidazol-1-yl ethyl sulfate
PubChem CID174981169
Molecular FormulaC5H10N2O4S
Molecular Weight194.21 g/mol
Exact Mass194.04
IUPAC Name4,5-dihydroimidazol-1-yl ethyl sulfate
SMILESCCOS(=O)(=O)ON1C=NCC1
InChIInChI=1S/C5H10N2O4S/c1-2-10-12(8,9)11-7-4-3-6-5-7/h5H,2-4H2,1H3
InChIKeyDYDWGBQFOUJDEO-UHFFFAOYSA-N
XLogP-0.46
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroimidazol-1-yl ethyl sulfate?
The IUPAC name of 4,5-dihydroimidazol-1-yl ethyl sulfate (CID 174981169) is 4,5-dihydroimidazol-1-yl ethyl sulfate.
What is the SMILES notation for 4,5-dihydroimidazol-1-yl ethyl sulfate?
The canonical SMILES for 4,5-dihydroimidazol-1-yl ethyl sulfate is CCOS(=O)(=O)ON1C=NCC1.
What is the InChIKey of 4,5-dihydroimidazol-1-yl ethyl sulfate?
The InChIKey is DYDWGBQFOUJDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4S/c1-2-10-12(8,9)11-7-4-3-6-5-7/h5H,2-4H2,1H3.
What are the key properties of 4,5-dihydroimidazol-1-yl ethyl sulfate?
4,5-dihydroimidazol-1-yl ethyl sulfate has a molecular weight of 194.21 g/mol, XLogP of -0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroimidazol-1-yl ethyl sulfate is sourced from PubChem (CID 174981169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).