cobalt;1H-imidazole;iron

C3H4CoFeN2 — CID 175132230

IUPACcobalt;1H-imidazole;iron
SMILES[Co].[Fe].c1c[nH]cn1
InChIInChI=1S/C3H4N2.Co.Fe/c1-2-5-3-4-1;;/h1-3H,(H,4,5);;
InChIKeyYACVZGAKYSXVRI-UHFFFAOYSA-N
MW182.86 g/mol
LogP0.40
Rot. Bonds

About cobalt;1H-imidazole;iron

cobalt;1H-imidazole;iron (PubChem CID 175132230) has the molecular formula C3H4CoFeN2 and a molecular weight of 182.86 g/mol. Its IUPAC name is cobalt;1H-imidazole;iron.

Molecular Properties

Compound Namecobalt;1H-imidazole;iron
PubChem CID175132230
Molecular FormulaC3H4CoFeN2
Molecular Weight182.86 g/mol
Exact Mass182.91
IUPAC Namecobalt;1H-imidazole;iron
SMILES[Co].[Fe].c1c[nH]cn1
InChIInChI=1S/C3H4N2.Co.Fe/c1-2-5-3-4-1;;/h1-3H,(H,4,5);;
InChIKeyYACVZGAKYSXVRI-UHFFFAOYSA-N
XLogP0.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.86
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Imidazole
CID 795
2-Nitroimidazole
CID 10701
2-Methylimidazole
CID 12749
1H-Imidazole, 4-bromo-
CID 96125
2-Ethylimidazole
CID 66130
2-Aminoimidazole
CID 82140
Imidazolium chloride
CID 10197644
2-Bromo-1H-imidazole
CID 2773261
4-iodo-1H-imidazole
CID 606522
2-Mercapto-1-methylimidazole
CID 21989623
4-Chloroimidazole
CID 140019
2-chloro-1H-imidazole
CID 2773328

Frequently Asked Questions

What is the IUPAC name of cobalt;1H-imidazole;iron?
The IUPAC name of cobalt;1H-imidazole;iron (CID 175132230) is cobalt;1H-imidazole;iron.
What is the SMILES notation for cobalt;1H-imidazole;iron?
The canonical SMILES for cobalt;1H-imidazole;iron is [Co].[Fe].c1c[nH]cn1.
What is the InChIKey of cobalt;1H-imidazole;iron?
The InChIKey is YACVZGAKYSXVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.Co.Fe/c1-2-5-3-4-1;;/h1-3H,(H,4,5);;.
What are the key properties of cobalt;1H-imidazole;iron?
cobalt;1H-imidazole;iron has a molecular weight of 182.86 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;1H-imidazole;iron is sourced from PubChem (CID 175132230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).