2,4-dimethyl-1,4-dihydroimidazol-5-one

C5H8N2O — CID 11571792

IUPAC2,4-dimethyl-1,4-dihydroimidazol-5-one
SMILESCC1=NC(C)C(=O)N1
InChIInChI=1S/C5H8N2O/c1-3-5(8)7-4(2)6-3/h3H,1-2H3,(H,6,7,8)
InChIKeyHJIPAXAXUBUDRY-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.08
Rot. Bonds

About 2,4-dimethyl-1,4-dihydroimidazol-5-one

2,4-dimethyl-1,4-dihydroimidazol-5-one (PubChem CID 11571792) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2,4-dimethyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2,4-dimethyl-1,4-dihydroimidazol-5-one
PubChem CID11571792
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2,4-dimethyl-1,4-dihydroimidazol-5-one
SMILESCC1=NC(C)C(=O)N1
InChIInChI=1S/C5H8N2O/c1-3-5(8)7-4(2)6-3/h3H,1-2H3,(H,6,7,8)
InChIKeyHJIPAXAXUBUDRY-UHFFFAOYSA-N
XLogP-0.08
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2,4-dimethyl-1,4-dihydroimidazol-5-one (CID 11571792) is 2,4-dimethyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2,4-dimethyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2,4-dimethyl-1,4-dihydroimidazol-5-one is CC1=NC(C)C(=O)N1.
What is the InChIKey of 2,4-dimethyl-1,4-dihydroimidazol-5-one?
The InChIKey is HJIPAXAXUBUDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-3-5(8)7-4(2)6-3/h3H,1-2H3,(H,6,7,8).
What are the key properties of 2,4-dimethyl-1,4-dihydroimidazol-5-one?
2,4-dimethyl-1,4-dihydroimidazol-5-one has a molecular weight of 112.13 g/mol, XLogP of -0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 11571792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).