1-(2H-imidazol-4-yl)-2-methylpropan-1-one

C7H10N2O — CID 148661678

IUPAC1-(2H-imidazol-4-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1=NCN=C1
InChIInChI=1S/C7H10N2O/c1-5(2)7(10)6-3-8-4-9-6/h3,5H,4H2,1-2H3
InChIKeyNNXIOGAUENPGQO-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.69
Rot. Bonds2

About 1-(2H-imidazol-4-yl)-2-methylpropan-1-one

1-(2H-imidazol-4-yl)-2-methylpropan-1-one (PubChem CID 148661678) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(2H-imidazol-4-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2H-imidazol-4-yl)-2-methylpropan-1-one
PubChem CID148661678
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1-(2H-imidazol-4-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1=NCN=C1
InChIInChI=1S/C7H10N2O/c1-5(2)7(10)6-3-8-4-9-6/h3,5H,4H2,1-2H3
InChIKeyNNXIOGAUENPGQO-UHFFFAOYSA-N
XLogP0.69
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2H-imidazol-4-yl)-2-methylpropan-1-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-(2H-imidazol-4-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2H-imidazol-4-yl)-2-methylpropan-1-one (CID 148661678) is 1-(2H-imidazol-4-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2H-imidazol-4-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2H-imidazol-4-yl)-2-methylpropan-1-one is CC(C)C(=O)C1=NCN=C1.
What is the InChIKey of 1-(2H-imidazol-4-yl)-2-methylpropan-1-one?
The InChIKey is NNXIOGAUENPGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5(2)7(10)6-3-8-4-9-6/h3,5H,4H2,1-2H3.
What are the key properties of 1-(2H-imidazol-4-yl)-2-methylpropan-1-one?
1-(2H-imidazol-4-yl)-2-methylpropan-1-one has a molecular weight of 138.17 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-imidazol-4-yl)-2-methylpropan-1-one is sourced from PubChem (CID 148661678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).