1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone

C13H14N2O — CID 24828314

IUPAC1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone
SMILESCC(=O)c1cncn1[C@H](C)c1ccccc1
InChIInChI=1S/C13H14N2O/c1-10(12-6-4-3-5-7-12)15-9-14-8-13(15)11(2)16/h3-10H,1-2H3/t10-/m1/s1
InChIKeyOQIJUQFSUSQFNM-SNVBAGLBSA-N
MW214.27 g/mol
LogP2.69
Rot. Bonds3

About 1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone

1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone (PubChem CID 24828314) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone
PubChem CID24828314
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone
SMILESCC(=O)c1cncn1[C@H](C)c1ccccc1
InChIInChI=1S/C13H14N2O/c1-10(12-6-4-3-5-7-12)15-9-14-8-13(15)11(2)16/h3-10H,1-2H3/t10-/m1/s1
InChIKeyOQIJUQFSUSQFNM-SNVBAGLBSA-N
XLogP2.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone?
The IUPAC name of 1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone (CID 24828314) is 1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone?
The canonical SMILES for 1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone is CC(=O)c1cncn1[C@H](C)c1ccccc1.
What is the InChIKey of 1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone?
The InChIKey is OQIJUQFSUSQFNM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10(12-6-4-3-5-7-12)15-9-14-8-13(15)11(2)16/h3-10H,1-2H3/t10-/m1/s1.
What are the key properties of 1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone?
1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone has a molecular weight of 214.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone is sourced from PubChem (CID 24828314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).