acetic acid;cobalt;bis(2-ethyl-1H-imidazole)

C14H24CoN4O4 — CID 5257802

IUPACacetic acid;cobalt;bis(2-ethyl-1H-imidazole)
SMILESCC(=O)O.CC(=O)O.CCc1ncc[nH]1.CCc1ncc[nH]1.[Co]
InChIInChI=1S/2C5H8N2.2C2H4O2.Co/c2*1-2-5-6-3-4-7-5;2*1-2(3)4;/h2*3-4H,2H2,1H3,(H,6,7);2*1H3,(H,3,4);
InChIKeyUIWPYGYWRCYKGL-UHFFFAOYSA-N
MW371.30 g/mol
LogP2.12
Rot. Bonds2

About acetic acid;cobalt;bis(2-ethyl-1H-imidazole)

acetic acid;cobalt;bis(2-ethyl-1H-imidazole) (PubChem CID 5257802) has the molecular formula C14H24CoN4O4 and a molecular weight of 371.30 g/mol. Its IUPAC name is acetic acid;cobalt;bis(2-ethyl-1H-imidazole).

Molecular Properties

Compound Nameacetic acid;cobalt;bis(2-ethyl-1H-imidazole)
PubChem CID5257802
Molecular FormulaC14H24CoN4O4
Molecular Weight371.30 g/mol
Exact Mass371.11
IUPAC Nameacetic acid;cobalt;bis(2-ethyl-1H-imidazole)
SMILESCC(=O)O.CC(=O)O.CCc1ncc[nH]1.CCc1ncc[nH]1.[Co]
InChIInChI=1S/2C5H8N2.2C2H4O2.Co/c2*1-2-5-6-3-4-7-5;2*1-2(3)4;/h2*3-4H,2H2,1H3,(H,6,7);2*1H3,(H,3,4);
InChIKeyUIWPYGYWRCYKGL-UHFFFAOYSA-N
XLogP2.12
TPSA131.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1H-imidazole;methanol
CID 176573862
ethane;2-ethyl-1H-imidazole
CID 144736598
bis(2-ethyl-1H-imidazole);hydrate
CID 70001211
2-ethyl-1H-imidazole;dihydroiodide
CID 175121589
2-ethyl-1H-imidazole;hexafluoroantimony(1-)
CID 175050777
2-ethyl-1H-imidazole;methyl(diphenyl)borane
CID 15753724
2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole
CID 158806320
3-(1H-imidazol-2-yl)propanoic acid
CID 175951913
3-(1H-imidazol-2-yl)propanoic acid;dihydrochloride
CID 70511103
2-butyl-1H-imidazole;hexanoic acid
CID 175164203
4-(1H-imidazol-2-yl)-2-oxobutanoic acid
CID 82413460
2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid
CID 82407276

Frequently Asked Questions

What is the IUPAC name of acetic acid;cobalt;bis(2-ethyl-1H-imidazole)?
The IUPAC name of acetic acid;cobalt;bis(2-ethyl-1H-imidazole) (CID 5257802) is acetic acid;cobalt;bis(2-ethyl-1H-imidazole).
What is the SMILES notation for acetic acid;cobalt;bis(2-ethyl-1H-imidazole)?
The canonical SMILES for acetic acid;cobalt;bis(2-ethyl-1H-imidazole) is CC(=O)O.CC(=O)O.CCc1ncc[nH]1.CCc1ncc[nH]1.[Co].
What is the InChIKey of acetic acid;cobalt;bis(2-ethyl-1H-imidazole)?
The InChIKey is UIWPYGYWRCYKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8N2.2C2H4O2.Co/c2*1-2-5-6-3-4-7-5;2*1-2(3)4;/h2*3-4H,2H2,1H3,(H,6,7);2*1H3,(H,3,4);.
What are the key properties of acetic acid;cobalt;bis(2-ethyl-1H-imidazole)?
acetic acid;cobalt;bis(2-ethyl-1H-imidazole) has a molecular weight of 371.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cobalt;bis(2-ethyl-1H-imidazole) is sourced from PubChem (CID 5257802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).