4-methyl-1,4-dihydroimidazol-5-one

C4H6N2O — CID 19693843

IUPAC4-methyl-1,4-dihydroimidazol-5-one
SMILESCC1N=CNC1=O
InChIInChI=1S/C4H6N2O/c1-3-4(7)6-2-5-3/h2-3H,1H3,(H,5,6,7)
InChIKeyUZPOBNROAJNYOQ-UHFFFAOYSA-N
MW98.10 g/mol
LogP-0.47
Rot. Bonds

About 4-methyl-1,4-dihydroimidazol-5-one

4-methyl-1,4-dihydroimidazol-5-one (PubChem CID 19693843) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 4-methyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-methyl-1,4-dihydroimidazol-5-one
PubChem CID19693843
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name4-methyl-1,4-dihydroimidazol-5-one
SMILESCC1N=CNC1=O
InChIInChI=1S/C4H6N2O/c1-3-4(7)6-2-5-3/h2-3H,1H3,(H,5,6,7)
InChIKeyUZPOBNROAJNYOQ-UHFFFAOYSA-N
XLogP-0.47
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1,4-dihydroimidazol-5-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 4-methyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-methyl-1,4-dihydroimidazol-5-one (CID 19693843) is 4-methyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-methyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-methyl-1,4-dihydroimidazol-5-one is CC1N=CNC1=O.
What is the InChIKey of 4-methyl-1,4-dihydroimidazol-5-one?
The InChIKey is UZPOBNROAJNYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c1-3-4(7)6-2-5-3/h2-3H,1H3,(H,5,6,7).
What are the key properties of 4-methyl-1,4-dihydroimidazol-5-one?
4-methyl-1,4-dihydroimidazol-5-one has a molecular weight of 98.10 g/mol, XLogP of -0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 19693843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).