3-(2-methylimidazol-1-yl)-1-phenylpropan-1-one

C13H14N2O — CID 19078366

IUPAC3-(2-methylimidazol-1-yl)-1-phenylpropan-1-one
SMILESCc1nccn1CCC(=O)c1ccccc1
InChIInChI=1S/C13H14N2O/c1-11-14-8-10-15(11)9-7-13(16)12-5-3-2-4-6-12/h2-6,8,10H,7,9H2,1H3
InChIKeyXJSSMWUQQPQWLN-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.46
Rot. Bonds4

About 3-(2-methylimidazol-1-yl)-1-phenylpropan-1-one

3-(2-methylimidazol-1-yl)-1-phenylpropan-1-one (PubChem CID 19078366) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(2-methylimidazol-1-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(2-methylimidazol-1-yl)-1-phenylpropan-1-one
PubChem CID19078366
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-(2-methylimidazol-1-yl)-1-phenylpropan-1-one
SMILESCc1nccn1CCC(=O)c1ccccc1
InChIInChI=1S/C13H14N2O/c1-11-14-8-10-15(11)9-7-13(16)12-5-3-2-4-6-12/h2-6,8,10H,7,9H2,1H3
InChIKeyXJSSMWUQQPQWLN-UHFFFAOYSA-N
XLogP2.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylimidazol-1-yl)-1-phenylpropan-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 3-(2-methylimidazol-1-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(2-methylimidazol-1-yl)-1-phenylpropan-1-one (CID 19078366) is 3-(2-methylimidazol-1-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(2-methylimidazol-1-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(2-methylimidazol-1-yl)-1-phenylpropan-1-one is Cc1nccn1CCC(=O)c1ccccc1.
What is the InChIKey of 3-(2-methylimidazol-1-yl)-1-phenylpropan-1-one?
The InChIKey is XJSSMWUQQPQWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-11-14-8-10-15(11)9-7-13(16)12-5-3-2-4-6-12/h2-6,8,10H,7,9H2,1H3.
What are the key properties of 3-(2-methylimidazol-1-yl)-1-phenylpropan-1-one?
3-(2-methylimidazol-1-yl)-1-phenylpropan-1-one has a molecular weight of 214.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazol-1-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 19078366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).