(1,4-dimethylimidazol-2-yl) acetate

C7H10N2O2 — CID 90714565

IUPAC(1,4-dimethylimidazol-2-yl) acetate
SMILESCC(=O)Oc1nc(C)cn1C
InChIInChI=1S/C7H10N2O2/c1-5-4-9(3)7(8-5)11-6(2)10/h4H,1-3H3
InChIKeyCFOGJEKJLBWRDQ-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.65
Rot. Bonds1

About (1,4-dimethylimidazol-2-yl) acetate

(1,4-dimethylimidazol-2-yl) acetate (PubChem CID 90714565) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (1,4-dimethylimidazol-2-yl) acetate.

Molecular Properties

Compound Name(1,4-dimethylimidazol-2-yl) acetate
PubChem CID90714565
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(1,4-dimethylimidazol-2-yl) acetate
SMILESCC(=O)Oc1nc(C)cn1C
InChIInChI=1S/C7H10N2O2/c1-5-4-9(3)7(8-5)11-6(2)10/h4H,1-3H3
InChIKeyCFOGJEKJLBWRDQ-UHFFFAOYSA-N
XLogP0.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylimidazol-2-yl) acetate?
The IUPAC name of (1,4-dimethylimidazol-2-yl) acetate (CID 90714565) is (1,4-dimethylimidazol-2-yl) acetate.
What is the SMILES notation for (1,4-dimethylimidazol-2-yl) acetate?
The canonical SMILES for (1,4-dimethylimidazol-2-yl) acetate is CC(=O)Oc1nc(C)cn1C.
What is the InChIKey of (1,4-dimethylimidazol-2-yl) acetate?
The InChIKey is CFOGJEKJLBWRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5-4-9(3)7(8-5)11-6(2)10/h4H,1-3H3.
What are the key properties of (1,4-dimethylimidazol-2-yl) acetate?
(1,4-dimethylimidazol-2-yl) acetate has a molecular weight of 154.17 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylimidazol-2-yl) acetate is sourced from PubChem (CID 90714565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).