(1,3-dimethyl-2H-imidazol-2-yl) acetate

C7H12N2O2 — CID 66678689

IUPAC(1,3-dimethyl-2H-imidazol-2-yl) acetate
SMILESCC(=O)OC1N(C)C=CN1C
InChIInChI=1S/C7H12N2O2/c1-6(10)11-7-8(2)4-5-9(7)3/h4-5,7H,1-3H3
InChIKeyZEHQSGKHQMHTJT-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.18
Rot. Bonds1

About (1,3-dimethyl-2H-imidazol-2-yl) acetate

(1,3-dimethyl-2H-imidazol-2-yl) acetate (PubChem CID 66678689) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is (1,3-dimethyl-2H-imidazol-2-yl) acetate.

Molecular Properties

Compound Name(1,3-dimethyl-2H-imidazol-2-yl) acetate
PubChem CID66678689
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name(1,3-dimethyl-2H-imidazol-2-yl) acetate
SMILESCC(=O)OC1N(C)C=CN1C
InChIInChI=1S/C7H12N2O2/c1-6(10)11-7-8(2)4-5-9(7)3/h4-5,7H,1-3H3
InChIKeyZEHQSGKHQMHTJT-UHFFFAOYSA-N
XLogP0.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2H-imidazol-2-yl) acetate?
The IUPAC name of (1,3-dimethyl-2H-imidazol-2-yl) acetate (CID 66678689) is (1,3-dimethyl-2H-imidazol-2-yl) acetate.
What is the SMILES notation for (1,3-dimethyl-2H-imidazol-2-yl) acetate?
The canonical SMILES for (1,3-dimethyl-2H-imidazol-2-yl) acetate is CC(=O)OC1N(C)C=CN1C.
What is the InChIKey of (1,3-dimethyl-2H-imidazol-2-yl) acetate?
The InChIKey is ZEHQSGKHQMHTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-6(10)11-7-8(2)4-5-9(7)3/h4-5,7H,1-3H3.
What are the key properties of (1,3-dimethyl-2H-imidazol-2-yl) acetate?
(1,3-dimethyl-2H-imidazol-2-yl) acetate has a molecular weight of 156.18 g/mol, XLogP of 0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2H-imidazol-2-yl) acetate is sourced from PubChem (CID 66678689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).