[1H-imidazol-2-yl(phenyl)methyl] acetate

C12H12N2O2 — CID 23564085

IUPAC[1H-imidazol-2-yl(phenyl)methyl] acetate
SMILESCC(=O)OC(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C12H12N2O2/c1-9(15)16-11(12-13-7-8-14-12)10-5-3-2-4-6-10/h2-8,11H,1H3,(H,13,14)
InChIKeyDXPOLSQUESAXJS-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.06
Rot. Bonds3

About [1H-imidazol-2-yl(phenyl)methyl] acetate

[1H-imidazol-2-yl(phenyl)methyl] acetate (PubChem CID 23564085) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is [1H-imidazol-2-yl(phenyl)methyl] acetate.

Molecular Properties

Compound Name[1H-imidazol-2-yl(phenyl)methyl] acetate
PubChem CID23564085
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name[1H-imidazol-2-yl(phenyl)methyl] acetate
SMILESCC(=O)OC(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C12H12N2O2/c1-9(15)16-11(12-13-7-8-14-12)10-5-3-2-4-6-10/h2-8,11H,1H3,(H,13,14)
InChIKeyDXPOLSQUESAXJS-UHFFFAOYSA-N
XLogP2.06
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1H-imidazol-2-yl(phenyl)methyl] acetate?
The IUPAC name of [1H-imidazol-2-yl(phenyl)methyl] acetate (CID 23564085) is [1H-imidazol-2-yl(phenyl)methyl] acetate.
What is the SMILES notation for [1H-imidazol-2-yl(phenyl)methyl] acetate?
The canonical SMILES for [1H-imidazol-2-yl(phenyl)methyl] acetate is CC(=O)OC(c1ccccc1)c1ncc[nH]1.
What is the InChIKey of [1H-imidazol-2-yl(phenyl)methyl] acetate?
The InChIKey is DXPOLSQUESAXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-9(15)16-11(12-13-7-8-14-12)10-5-3-2-4-6-10/h2-8,11H,1H3,(H,13,14).
What are the key properties of [1H-imidazol-2-yl(phenyl)methyl] acetate?
[1H-imidazol-2-yl(phenyl)methyl] acetate has a molecular weight of 216.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1H-imidazol-2-yl(phenyl)methyl] acetate is sourced from PubChem (CID 23564085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).