2-methylimidazol-4-one

C4H4N2O — CID 22729296

IUPAC2-methylimidazol-4-one
SMILESCC1=NC(=O)C=N1
InChIInChI=1S/C4H4N2O/c1-3-5-2-4(7)6-3/h2H,1H3
InChIKeyTUYLBWPJHXNJBM-UHFFFAOYSA-N
MW96.09 g/mol
LogP0.02
Rot. Bonds

About 2-methylimidazol-4-one

2-methylimidazol-4-one (PubChem CID 22729296) has the molecular formula C4H4N2O and a molecular weight of 96.09 g/mol. Its IUPAC name is 2-methylimidazol-4-one.

Molecular Properties

Compound Name2-methylimidazol-4-one
PubChem CID22729296
Molecular FormulaC4H4N2O
Molecular Weight96.09 g/mol
Exact Mass96.03
IUPAC Name2-methylimidazol-4-one
SMILESCC1=NC(=O)C=N1
InChIInChI=1S/C4H4N2O/c1-3-5-2-4(7)6-3/h2H,1H3
InChIKeyTUYLBWPJHXNJBM-UHFFFAOYSA-N
XLogP0.02
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.09
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylimidazol-4-one?
The IUPAC name of 2-methylimidazol-4-one (CID 22729296) is 2-methylimidazol-4-one.
What is the SMILES notation for 2-methylimidazol-4-one?
The canonical SMILES for 2-methylimidazol-4-one is CC1=NC(=O)C=N1.
What is the InChIKey of 2-methylimidazol-4-one?
The InChIKey is TUYLBWPJHXNJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O/c1-3-5-2-4(7)6-3/h2H,1H3.
What are the key properties of 2-methylimidazol-4-one?
2-methylimidazol-4-one has a molecular weight of 96.09 g/mol, XLogP of 0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimidazol-4-one is sourced from PubChem (CID 22729296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).