acetic acid;1-butyl-3-ethyl-2H-imidazole

C11H22N2O2 — CID 175549883

IUPACacetic acid;1-butyl-3-ethyl-2H-imidazole
SMILESCC(=O)O.CCCCN1C=CN(CC)C1
InChIInChI=1S/C9H18N2.C2H4O2/c1-3-5-6-11-8-7-10(4-2)9-11;1-2(3)4/h7-8H,3-6,9H2,1-2H3;1H3,(H,3,4)
InChIKeyCXYVCEOKDOXIBI-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.94
Rot. Bonds4

About acetic acid;1-butyl-3-ethyl-2H-imidazole

acetic acid;1-butyl-3-ethyl-2H-imidazole (PubChem CID 175549883) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is acetic acid;1-butyl-3-ethyl-2H-imidazole.

Molecular Properties

Compound Nameacetic acid;1-butyl-3-ethyl-2H-imidazole
PubChem CID175549883
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameacetic acid;1-butyl-3-ethyl-2H-imidazole
SMILESCC(=O)O.CCCCN1C=CN(CC)C1
InChIInChI=1S/C9H18N2.C2H4O2/c1-3-5-6-11-8-7-10(4-2)9-11;1-2(3)4/h7-8H,3-6,9H2,1-2H3;1H3,(H,3,4)
InChIKeyCXYVCEOKDOXIBI-UHFFFAOYSA-N
XLogP1.94
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;1,3-dibutyl-2H-imidazole
CID 174955065
1-butyl-3-ethyl-2H-imidazole;hydroiodide
CID 173049590
1-decyl-3-ethyl-2H-imidazole
CID 19864130
1-ethyl-3-hexyl-2H-imidazole;hydrobromide
CID 173078365
1-ethyl-3-octyl-2H-imidazole;hydroiodide
CID 173446352
1,3-dibutyl-2H-imidazole;hydrobromide
CID 170561230
bis(1-butyl-3-methyl-2H-imidazole);chloromethane;bis(1,3-dibutyl-2H-imidazole);1,3-diethyl-2H-imidazole;tris(1,3-dimethyl-2H-imidazole);ethane;1-ethyl-3-methyl-2H-imidazole;methyl acetate
CID 162283428
1,3-di(nonyl)-2H-imidazole
CID 69395396
1-hexyl-3-octadecyl-2H-imidazole
CID 68966514
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-butyl-3-ethyl-2H-imidazole?
The IUPAC name of acetic acid;1-butyl-3-ethyl-2H-imidazole (CID 175549883) is acetic acid;1-butyl-3-ethyl-2H-imidazole.
What is the SMILES notation for acetic acid;1-butyl-3-ethyl-2H-imidazole?
The canonical SMILES for acetic acid;1-butyl-3-ethyl-2H-imidazole is CC(=O)O.CCCCN1C=CN(CC)C1.
What is the InChIKey of acetic acid;1-butyl-3-ethyl-2H-imidazole?
The InChIKey is CXYVCEOKDOXIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C2H4O2/c1-3-5-6-11-8-7-10(4-2)9-11;1-2(3)4/h7-8H,3-6,9H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-butyl-3-ethyl-2H-imidazole?
acetic acid;1-butyl-3-ethyl-2H-imidazole has a molecular weight of 214.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-butyl-3-ethyl-2H-imidazole is sourced from PubChem (CID 175549883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).