1-hydroxy-4,5-dihydroimidazole

C3H6N2O — CID 21225239

IUPAC1-hydroxy-4,5-dihydroimidazole
SMILESON1C=NCC1
InChIInChI=1S/C3H6N2O/c6-5-2-1-4-3-5/h3,6H,1-2H2
InChIKeyGQSARBOWRIBUBV-UHFFFAOYSA-N
MW86.09 g/mol
LogP-0.28
Rot. Bonds

About 1-hydroxy-4,5-dihydroimidazole

1-hydroxy-4,5-dihydroimidazole (PubChem CID 21225239) has the molecular formula C3H6N2O and a molecular weight of 86.09 g/mol. Its IUPAC name is 1-hydroxy-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-hydroxy-4,5-dihydroimidazole
PubChem CID21225239
Molecular FormulaC3H6N2O
Molecular Weight86.09 g/mol
Exact Mass86.05
IUPAC Name1-hydroxy-4,5-dihydroimidazole
SMILESON1C=NCC1
InChIInChI=1S/C3H6N2O/c6-5-2-1-4-3-5/h3,6H,1-2H2
InChIKeyGQSARBOWRIBUBV-UHFFFAOYSA-N
XLogP-0.28
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4,5-dihydroimidazole?
The IUPAC name of 1-hydroxy-4,5-dihydroimidazole (CID 21225239) is 1-hydroxy-4,5-dihydroimidazole.
What is the SMILES notation for 1-hydroxy-4,5-dihydroimidazole?
The canonical SMILES for 1-hydroxy-4,5-dihydroimidazole is ON1C=NCC1.
What is the InChIKey of 1-hydroxy-4,5-dihydroimidazole?
The InChIKey is GQSARBOWRIBUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O/c6-5-2-1-4-3-5/h3,6H,1-2H2.
What are the key properties of 1-hydroxy-4,5-dihydroimidazole?
1-hydroxy-4,5-dihydroimidazole has a molecular weight of 86.09 g/mol, XLogP of -0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4,5-dihydroimidazole is sourced from PubChem (CID 21225239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).