[1,3-di(propan-2-yl)-2H-imidazol-2-yl] acetate

C11H20N2O2 — CID 67305570

IUPAC[1,3-di(propan-2-yl)-2H-imidazol-2-yl] acetate
SMILESCC(=O)OC1N(C(C)C)C=CN1C(C)C
InChIInChI=1S/C11H20N2O2/c1-8(2)12-6-7-13(9(3)4)11(12)15-10(5)14/h6-9,11H,1-5H3
InChIKeyVQYIGAPGAPWDJD-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.74
Rot. Bonds3

About [1,3-di(propan-2-yl)-2H-imidazol-2-yl] acetate

[1,3-di(propan-2-yl)-2H-imidazol-2-yl] acetate (PubChem CID 67305570) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [1,3-di(propan-2-yl)-2H-imidazol-2-yl] acetate.

Molecular Properties

Compound Name[1,3-di(propan-2-yl)-2H-imidazol-2-yl] acetate
PubChem CID67305570
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[1,3-di(propan-2-yl)-2H-imidazol-2-yl] acetate
SMILESCC(=O)OC1N(C(C)C)C=CN1C(C)C
InChIInChI=1S/C11H20N2O2/c1-8(2)12-6-7-13(9(3)4)11(12)15-10(5)14/h6-9,11H,1-5H3
InChIKeyVQYIGAPGAPWDJD-UHFFFAOYSA-N
XLogP1.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,3-di(propan-2-yl)-2H-imidazol-2-yl] acetate?
The IUPAC name of [1,3-di(propan-2-yl)-2H-imidazol-2-yl] acetate (CID 67305570) is [1,3-di(propan-2-yl)-2H-imidazol-2-yl] acetate.
What is the SMILES notation for [1,3-di(propan-2-yl)-2H-imidazol-2-yl] acetate?
The canonical SMILES for [1,3-di(propan-2-yl)-2H-imidazol-2-yl] acetate is CC(=O)OC1N(C(C)C)C=CN1C(C)C.
What is the InChIKey of [1,3-di(propan-2-yl)-2H-imidazol-2-yl] acetate?
The InChIKey is VQYIGAPGAPWDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(2)12-6-7-13(9(3)4)11(12)15-10(5)14/h6-9,11H,1-5H3.
What are the key properties of [1,3-di(propan-2-yl)-2H-imidazol-2-yl] acetate?
[1,3-di(propan-2-yl)-2H-imidazol-2-yl] acetate has a molecular weight of 212.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-di(propan-2-yl)-2H-imidazol-2-yl] acetate is sourced from PubChem (CID 67305570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).