acetic acid;2-ethyl-5-methyl-1H-imidazole

C8H14N2O2 — CID 20518046

IUPACacetic acid;2-ethyl-5-methyl-1H-imidazole
SMILESCC(=O)O.CCc1ncc(C)[nH]1
InChIInChI=1S/C6H10N2.C2H4O2/c1-3-6-7-4-5(2)8-6;1-2(3)4/h4H,3H2,1-2H3,(H,7,8);1H3,(H,3,4)
InChIKeyOBQCWYWUAMLDAT-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.37
Rot. Bonds1

About acetic acid;2-ethyl-5-methyl-1H-imidazole

acetic acid;2-ethyl-5-methyl-1H-imidazole (PubChem CID 20518046) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is acetic acid;2-ethyl-5-methyl-1H-imidazole.

Molecular Properties

Compound Nameacetic acid;2-ethyl-5-methyl-1H-imidazole
PubChem CID20518046
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Nameacetic acid;2-ethyl-5-methyl-1H-imidazole
SMILESCC(=O)O.CCc1ncc(C)[nH]1
InChIInChI=1S/C6H10N2.C2H4O2/c1-3-6-7-4-5(2)8-6;1-2(3)4/h4H,3H2,1-2H3,(H,7,8);1H3,(H,3,4)
InChIKeyOBQCWYWUAMLDAT-UHFFFAOYSA-N
XLogP1.37
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-ethyl-5-methyl-1H-imidazole?
The IUPAC name of acetic acid;2-ethyl-5-methyl-1H-imidazole (CID 20518046) is acetic acid;2-ethyl-5-methyl-1H-imidazole.
What is the SMILES notation for acetic acid;2-ethyl-5-methyl-1H-imidazole?
The canonical SMILES for acetic acid;2-ethyl-5-methyl-1H-imidazole is CC(=O)O.CCc1ncc(C)[nH]1.
What is the InChIKey of acetic acid;2-ethyl-5-methyl-1H-imidazole?
The InChIKey is OBQCWYWUAMLDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C2H4O2/c1-3-6-7-4-5(2)8-6;1-2(3)4/h4H,3H2,1-2H3,(H,7,8);1H3,(H,3,4).
What are the key properties of acetic acid;2-ethyl-5-methyl-1H-imidazole?
acetic acid;2-ethyl-5-methyl-1H-imidazole has a molecular weight of 170.21 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-ethyl-5-methyl-1H-imidazole is sourced from PubChem (CID 20518046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).