3-hydroxy-1,4-dimethyl-4,5-dihydroimidazol-1-ium

C5H11N2O+ — CID 91277205

IUPAC3-hydroxy-1,4-dimethyl-4,5-dihydroimidazol-1-ium
SMILESCC1C[N+](C)=CN1O
InChIInChI=1S/C5H11N2O/c1-5-3-6(2)4-7(5)8/h4-5,8H,3H2,1-2H3/q+1
InChIKeyNLSCVINDOCRPNM-UHFFFAOYSA-N
MW115.16 g/mol
LogP-0.25
Rot. Bonds

About 3-hydroxy-1,4-dimethyl-4,5-dihydroimidazol-1-ium

3-hydroxy-1,4-dimethyl-4,5-dihydroimidazol-1-ium (PubChem CID 91277205) has the molecular formula C5H11N2O+ and a molecular weight of 115.16 g/mol. Its IUPAC name is 3-hydroxy-1,4-dimethyl-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name3-hydroxy-1,4-dimethyl-4,5-dihydroimidazol-1-ium
PubChem CID91277205
Molecular FormulaC5H11N2O+
Molecular Weight115.16 g/mol
Exact Mass115.09
IUPAC Name3-hydroxy-1,4-dimethyl-4,5-dihydroimidazol-1-ium
SMILESCC1C[N+](C)=CN1O
InChIInChI=1S/C5H11N2O/c1-5-3-6(2)4-7(5)8/h4-5,8H,3H2,1-2H3/q+1
InChIKeyNLSCVINDOCRPNM-UHFFFAOYSA-N
XLogP-0.25
TPSA26.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-hydroxy-1,4-dimethyl-4,5-dihydroimidazol-1-ium 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 3-hydroxy-1,4-dimethyl-4,5-dihydroimidazol-1-ium?
The IUPAC name of 3-hydroxy-1,4-dimethyl-4,5-dihydroimidazol-1-ium (CID 91277205) is 3-hydroxy-1,4-dimethyl-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 3-hydroxy-1,4-dimethyl-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 3-hydroxy-1,4-dimethyl-4,5-dihydroimidazol-1-ium is CC1C[N+](C)=CN1O.
What is the InChIKey of 3-hydroxy-1,4-dimethyl-4,5-dihydroimidazol-1-ium?
The InChIKey is NLSCVINDOCRPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2O/c1-5-3-6(2)4-7(5)8/h4-5,8H,3H2,1-2H3/q+1.
What are the key properties of 3-hydroxy-1,4-dimethyl-4,5-dihydroimidazol-1-ium?
3-hydroxy-1,4-dimethyl-4,5-dihydroimidazol-1-ium has a molecular weight of 115.16 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,4-dimethyl-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 91277205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).