[2-(1H-imidazol-2-yl)-2,2-diphenylethyl] acetate

C19H18N2O2 — CID 54496881

IUPAC[2-(1H-imidazol-2-yl)-2,2-diphenylethyl] acetate
SMILESCC(=O)OCC(c1ccccc1)(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C19H18N2O2/c1-15(22)23-14-19(18-20-12-13-21-18,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,20,21)
InChIKeyXZSWFJJWIVAQAF-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.31
Rot. Bonds5

About [2-(1H-imidazol-2-yl)-2,2-diphenylethyl] acetate

[2-(1H-imidazol-2-yl)-2,2-diphenylethyl] acetate (PubChem CID 54496881) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is [2-(1H-imidazol-2-yl)-2,2-diphenylethyl] acetate.

Molecular Properties

Compound Name[2-(1H-imidazol-2-yl)-2,2-diphenylethyl] acetate
PubChem CID54496881
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name[2-(1H-imidazol-2-yl)-2,2-diphenylethyl] acetate
SMILESCC(=O)OCC(c1ccccc1)(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C19H18N2O2/c1-15(22)23-14-19(18-20-12-13-21-18,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,20,21)
InChIKeyXZSWFJJWIVAQAF-UHFFFAOYSA-N
XLogP3.31
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-imidazol-2-yl)-2,2-diphenylethyl] acetate?
The IUPAC name of [2-(1H-imidazol-2-yl)-2,2-diphenylethyl] acetate (CID 54496881) is [2-(1H-imidazol-2-yl)-2,2-diphenylethyl] acetate.
What is the SMILES notation for [2-(1H-imidazol-2-yl)-2,2-diphenylethyl] acetate?
The canonical SMILES for [2-(1H-imidazol-2-yl)-2,2-diphenylethyl] acetate is CC(=O)OCC(c1ccccc1)(c1ccccc1)c1ncc[nH]1.
What is the InChIKey of [2-(1H-imidazol-2-yl)-2,2-diphenylethyl] acetate?
The InChIKey is XZSWFJJWIVAQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-15(22)23-14-19(18-20-12-13-21-18,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,20,21).
What are the key properties of [2-(1H-imidazol-2-yl)-2,2-diphenylethyl] acetate?
[2-(1H-imidazol-2-yl)-2,2-diphenylethyl] acetate has a molecular weight of 306.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-imidazol-2-yl)-2,2-diphenylethyl] acetate is sourced from PubChem (CID 54496881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).