1-oxido-1H-imidazol-1-ium

C3H4N2O — CID 18331453

IUPAC1-oxido-1H-imidazol-1-ium
SMILES[O-][NH+]1C=CN=C1
InChIInChI=1S/C3H4N2O/c6-5-2-1-4-3-5/h1-3,5H
InChIKeyMVVXVWYIVFKWQN-UHFFFAOYSA-N
MW84.08 g/mol
LogP-1.12
Rot. Bonds

About 1-oxido-1H-imidazol-1-ium

1-oxido-1H-imidazol-1-ium (PubChem CID 18331453) has the molecular formula C3H4N2O and a molecular weight of 84.08 g/mol. Its IUPAC name is 1-oxido-1H-imidazol-1-ium.

Molecular Properties

Compound Name1-oxido-1H-imidazol-1-ium
PubChem CID18331453
Molecular FormulaC3H4N2O
Molecular Weight84.08 g/mol
Exact Mass84.03
IUPAC Name1-oxido-1H-imidazol-1-ium
SMILES[O-][NH+]1C=CN=C1
InChIInChI=1S/C3H4N2O/c6-5-2-1-4-3-5/h1-3,5H
InChIKeyMVVXVWYIVFKWQN-UHFFFAOYSA-N
XLogP-1.12
TPSA39.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.08
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxido-1H-imidazol-1-ium?
The IUPAC name of 1-oxido-1H-imidazol-1-ium (CID 18331453) is 1-oxido-1H-imidazol-1-ium.
What is the SMILES notation for 1-oxido-1H-imidazol-1-ium?
The canonical SMILES for 1-oxido-1H-imidazol-1-ium is [O-][NH+]1C=CN=C1.
What is the InChIKey of 1-oxido-1H-imidazol-1-ium?
The InChIKey is MVVXVWYIVFKWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O/c6-5-2-1-4-3-5/h1-3,5H.
What are the key properties of 1-oxido-1H-imidazol-1-ium?
1-oxido-1H-imidazol-1-ium has a molecular weight of 84.08 g/mol, XLogP of -1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-1H-imidazol-1-ium is sourced from PubChem (CID 18331453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).