cobalt;bis(2-methyl-1H-imidazole);4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one;bromide

C20H32BrCoN6O2- — CID 10482007

IUPACcobalt;bis(2-methyl-1H-imidazole);4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one;bromide
SMILESCC(=O)C/C(C)=N/CC/N=C(\C)CC(C)=O.Cc1ncc[nH]1.Cc1ncc[nH]1.[Br-].[Co]
InChIInChI=1S/C12H20N2O2.2C4H6N2.BrH.Co/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;2*1-4-5-2-3-6-4;;/h5-8H2,1-4H3;2*2-3H,1H3,(H,5,6);1H;/p-1/b13-9+,14-10+;;;;
InChIKeyPOACHBPIDUIACW-SYAHETRSSA-M
MW527.35 g/mol
LogP0.30
Rot. Bonds7

About cobalt;bis(2-methyl-1H-imidazole);4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one;bromide

cobalt;bis(2-methyl-1H-imidazole);4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one;bromide (PubChem CID 10482007) has the molecular formula C20H32BrCoN6O2- and a molecular weight of 527.35 g/mol. Its IUPAC name is cobalt;bis(2-methyl-1H-imidazole);4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one;bromide.

Molecular Properties

Compound Namecobalt;bis(2-methyl-1H-imidazole);4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one;bromide
PubChem CID10482007
Molecular FormulaC20H32BrCoN6O2-
Molecular Weight527.35 g/mol
Exact Mass526.11
IUPAC Namecobalt;bis(2-methyl-1H-imidazole);4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one;bromide
SMILESCC(=O)C/C(C)=N/CC/N=C(\C)CC(C)=O.Cc1ncc[nH]1.Cc1ncc[nH]1.[Br-].[Co]
InChIInChI=1S/C12H20N2O2.2C4H6N2.BrH.Co/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;2*1-4-5-2-3-6-4;;/h5-8H2,1-4H3;2*2-3H,1H3,(H,5,6);1H;/p-1/b13-9+,14-10+;;;;
InChIKeyPOACHBPIDUIACW-SYAHETRSSA-M
XLogP0.30
TPSA116.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.35
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 174899485
acetyl acetate;2-methyl-1H-imidazole
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azonous acid;tetrakis(2-methyl-1H-imidazole);nickel
CID 5255487
sodium;2-methyl-1H-imidazole;chloride
CID 174938695
formamide;2-methyl-1H-imidazole
CID 172691606
2-methyl-1H-imidazole;propane-1-sulfonic acid
CID 174610339
CID 172694720
CID 172694720
2-imidazol-1-ylacetic acid;2-methyl-1H-imidazole
CID 174695765
4-(3-aminopropylimino)pentan-2-one
CID 91484277
acetic acid;cobalt;bis(2-ethyl-1H-imidazole)
CID 5257802

Frequently Asked Questions

What is the IUPAC name of cobalt;bis(2-methyl-1H-imidazole);4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one;bromide?
The IUPAC name of cobalt;bis(2-methyl-1H-imidazole);4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one;bromide (CID 10482007) is cobalt;bis(2-methyl-1H-imidazole);4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one;bromide.
What is the SMILES notation for cobalt;bis(2-methyl-1H-imidazole);4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one;bromide?
The canonical SMILES for cobalt;bis(2-methyl-1H-imidazole);4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one;bromide is CC(=O)C/C(C)=N/CC/N=C(\C)CC(C)=O.Cc1ncc[nH]1.Cc1ncc[nH]1.[Br-].[Co].
What is the InChIKey of cobalt;bis(2-methyl-1H-imidazole);4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one;bromide?
The InChIKey is POACHBPIDUIACW-SYAHETRSSA-M. The full InChI is InChI=1S/C12H20N2O2.2C4H6N2.BrH.Co/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;2*1-4-5-2-3-6-4;;/h5-8H2,1-4H3;2*2-3H,1H3,(H,5,6);1H;/p-1/b13-9+,14-10+;;;;.
What are the key properties of cobalt;bis(2-methyl-1H-imidazole);4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one;bromide?
cobalt;bis(2-methyl-1H-imidazole);4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one;bromide has a molecular weight of 527.35 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(2-methyl-1H-imidazole);4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one;bromide is sourced from PubChem (CID 10482007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).