1,5-dihydroimidazol-3-ium-2-one

C3H5N2O+ — CID 173121335

IUPAC1,5-dihydroimidazol-3-ium-2-one
SMILESO=C1NCC=[NH+]1
InChIInChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1H,2H2,(H,5,6)/p+1
InChIKeyQSTJOOUALACOSX-UHFFFAOYSA-O
MW85.09 g/mol
LogP-2.14
Rot. Bonds

About 1,5-dihydroimidazol-3-ium-2-one

1,5-dihydroimidazol-3-ium-2-one (PubChem CID 173121335) has the molecular formula C3H5N2O+ and a molecular weight of 85.09 g/mol. Its IUPAC name is 1,5-dihydroimidazol-3-ium-2-one.

Molecular Properties

Compound Name1,5-dihydroimidazol-3-ium-2-one
PubChem CID173121335
Molecular FormulaC3H5N2O+
Molecular Weight85.09 g/mol
Exact Mass85.04
IUPAC Name1,5-dihydroimidazol-3-ium-2-one
SMILESO=C1NCC=[NH+]1
InChIInChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1H,2H2,(H,5,6)/p+1
InChIKeyQSTJOOUALACOSX-UHFFFAOYSA-O
XLogP-2.14
TPSA43.07 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.09
LogP ≤ 5-2.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1,5-dihydroimidazol-3-ium-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-dihydroimidazol-3-ium-2-one?
The IUPAC name of 1,5-dihydroimidazol-3-ium-2-one (CID 173121335) is 1,5-dihydroimidazol-3-ium-2-one.
What is the SMILES notation for 1,5-dihydroimidazol-3-ium-2-one?
The canonical SMILES for 1,5-dihydroimidazol-3-ium-2-one is O=C1NCC=[NH+]1.
What is the InChIKey of 1,5-dihydroimidazol-3-ium-2-one?
The InChIKey is QSTJOOUALACOSX-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1H,2H2,(H,5,6)/p+1.
What are the key properties of 1,5-dihydroimidazol-3-ium-2-one?
1,5-dihydroimidazol-3-ium-2-one has a molecular weight of 85.09 g/mol, XLogP of -2.14, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydroimidazol-3-ium-2-one is sourced from PubChem (CID 173121335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).