1-hydroxy-4,5-dihydroimidazole;hydrate

C3H8N2O2 — CID 174608222

IUPAC1-hydroxy-4,5-dihydroimidazole;hydrate
SMILESO.ON1C=NCC1
InChIInChI=1S/C3H6N2O.H2O/c6-5-2-1-4-3-5;/h3,6H,1-2H2;1H2
InChIKeyFCZHAOCRFPCUGO-UHFFFAOYSA-N
MW104.11 g/mol
LogP-1.11
Rot. Bonds

About 1-hydroxy-4,5-dihydroimidazole;hydrate

1-hydroxy-4,5-dihydroimidazole;hydrate (PubChem CID 174608222) has the molecular formula C3H8N2O2 and a molecular weight of 104.11 g/mol. Its IUPAC name is 1-hydroxy-4,5-dihydroimidazole;hydrate.

Molecular Properties

Compound Name1-hydroxy-4,5-dihydroimidazole;hydrate
PubChem CID174608222
Molecular FormulaC3H8N2O2
Molecular Weight104.11 g/mol
Exact Mass104.06
IUPAC Name1-hydroxy-4,5-dihydroimidazole;hydrate
SMILESO.ON1C=NCC1
InChIInChI=1S/C3H6N2O.H2O/c6-5-2-1-4-3-5;/h3,6H,1-2H2;1H2
InChIKeyFCZHAOCRFPCUGO-UHFFFAOYSA-N
XLogP-1.11
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-1.11
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;hydrate?
The IUPAC name of 1-hydroxy-4,5-dihydroimidazole;hydrate (CID 174608222) is 1-hydroxy-4,5-dihydroimidazole;hydrate.
What is the SMILES notation for 1-hydroxy-4,5-dihydroimidazole;hydrate?
The canonical SMILES for 1-hydroxy-4,5-dihydroimidazole;hydrate is O.ON1C=NCC1.
What is the InChIKey of 1-hydroxy-4,5-dihydroimidazole;hydrate?
The InChIKey is FCZHAOCRFPCUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O.H2O/c6-5-2-1-4-3-5;/h3,6H,1-2H2;1H2.
What are the key properties of 1-hydroxy-4,5-dihydroimidazole;hydrate?
1-hydroxy-4,5-dihydroimidazole;hydrate has a molecular weight of 104.11 g/mol, XLogP of -1.11, 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;hydrate is sourced from PubChem (CID 174608222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).