bis(2-[2-(aziridin-1-yl)ethyliminomethyl]phenol);cobalt(2+)

C22H28CoN4O2+2 — CID 3937622

IUPACbis(2-[2-(aziridin-1-yl)ethyliminomethyl]phenol);cobalt(2+)
SMILESOc1ccccc1/C=N/CCN1CC1.Oc1ccccc1C=NCCN1CC1.[Co+2]
InChIInChI=1S/2C11H14N2O.Co/c2*14-11-4-2-1-3-10(11)9-12-5-6-13-7-8-13;/h2*1-4,9,14H,5-8H2;/q;;+2/b12-9+;;
InChIKeyIKNYHDMDZWRBLI-ANOGCNOSSA-N
MW439.43 g/mol
LogP2.25
Rot. Bonds8

About bis(2-[2-(aziridin-1-yl)ethyliminomethyl]phenol);cobalt(2+)

bis(2-[2-(aziridin-1-yl)ethyliminomethyl]phenol);cobalt(2+) (PubChem CID 3937622) has the molecular formula C22H28CoN4O2+2 and a molecular weight of 439.43 g/mol. Its IUPAC name is bis(2-[2-(aziridin-1-yl)ethyliminomethyl]phenol);cobalt(2+).

Molecular Properties

Compound Namebis(2-[2-(aziridin-1-yl)ethyliminomethyl]phenol);cobalt(2+)
PubChem CID3937622
Molecular FormulaC22H28CoN4O2+2
Molecular Weight439.43 g/mol
Exact Mass439.15
IUPAC Namebis(2-[2-(aziridin-1-yl)ethyliminomethyl]phenol);cobalt(2+)
SMILESOc1ccccc1/C=N/CCN1CC1.Oc1ccccc1C=NCCN1CC1.[Co+2]
InChIInChI=1S/2C11H14N2O.Co/c2*14-11-4-2-1-3-10(11)9-12-5-6-13-7-8-13;/h2*1-4,9,14H,5-8H2;/q;;+2/b12-9+;;
InChIKeyIKNYHDMDZWRBLI-ANOGCNOSSA-N
XLogP2.25
TPSA71.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

gallium bis([2-[2-(aziridin-1-yl)ethyliminomethyl]phenyl]oxidanium)
CID 50911731
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
1-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]piperidine-3-carboxylic acid
CID 137250056
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
12-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]-2-methylidene-9,12,15-triazatricyclo[15.3.1.13,7]docosa-1(20),3,5,7(22),8,15,17(21),18-octaene-21,22-diol
CID 136903530
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate
CID 135406501
4-bromo-2-(2-piperazin-1-ylethyliminomethyl)phenol
CID 135734228

Frequently Asked Questions

What is the IUPAC name of bis(2-[2-(aziridin-1-yl)ethyliminomethyl]phenol);cobalt(2+)?
The IUPAC name of bis(2-[2-(aziridin-1-yl)ethyliminomethyl]phenol);cobalt(2+) (CID 3937622) is bis(2-[2-(aziridin-1-yl)ethyliminomethyl]phenol);cobalt(2+).
What is the SMILES notation for bis(2-[2-(aziridin-1-yl)ethyliminomethyl]phenol);cobalt(2+)?
The canonical SMILES for bis(2-[2-(aziridin-1-yl)ethyliminomethyl]phenol);cobalt(2+) is Oc1ccccc1/C=N/CCN1CC1.Oc1ccccc1C=NCCN1CC1.[Co+2].
What is the InChIKey of bis(2-[2-(aziridin-1-yl)ethyliminomethyl]phenol);cobalt(2+)?
The InChIKey is IKNYHDMDZWRBLI-ANOGCNOSSA-N. The full InChI is InChI=1S/2C11H14N2O.Co/c2*14-11-4-2-1-3-10(11)9-12-5-6-13-7-8-13;/h2*1-4,9,14H,5-8H2;/q;;+2/b12-9+;;.
What are the key properties of bis(2-[2-(aziridin-1-yl)ethyliminomethyl]phenol);cobalt(2+)?
bis(2-[2-(aziridin-1-yl)ethyliminomethyl]phenol);cobalt(2+) has a molecular weight of 439.43 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[2-(aziridin-1-yl)ethyliminomethyl]phenol);cobalt(2+) is sourced from PubChem (CID 3937622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).