2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel

C20H22N2NiO2 — CID 135987838

IUPAC2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
SMILESOc1ccccc1/C=N/C1CCCCC1/N=C/c1ccccc1O.[Ni]
InChIInChI=1S/C20H22N2O2.Ni/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-2,5-8,11-14,17-18,23-24H,3-4,9-10H2;/b21-13+,22-14+;
InChIKeyVSLMRBLFGZCMNI-JKBLJYNNSA-N
MW381.10 g/mol
LogP3.94
Rot. Bonds4

About 2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel

2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel (PubChem CID 135987838) has the molecular formula C20H22N2NiO2 and a molecular weight of 381.10 g/mol. Its IUPAC name is 2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel.

Molecular Properties

Compound Name2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
PubChem CID135987838
Molecular FormulaC20H22N2NiO2
Molecular Weight381.10 g/mol
Exact Mass380.10
IUPAC Name2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
SMILESOc1ccccc1/C=N/C1CCCCC1/N=C/c1ccccc1O.[Ni]
InChIInChI=1S/C20H22N2O2.Ni/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-2,5-8,11-14,17-18,23-24H,3-4,9-10H2;/b21-13+,22-14+;
InChIKeyVSLMRBLFGZCMNI-JKBLJYNNSA-N
XLogP3.94
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.10
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

copper;2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 135501676
2-[[(1S,2S)-2-cyclopentylcyclopentyl]iminomethyl]phenol
CID 135513792
2-[2-[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]ethyliminomethyl]phenol
CID 136673148
2-(cyclopropyliminomethyl)phenol
CID 5242286
cobalt(2+);3-[[2-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,2-diol;methanone
CID 155649862
1-(2-phosphanylphenyl)-N-[(1S,2S)-2-[(2-phosphanylphenyl)methylideneamino]cyclohexyl]methanimine
CID 135032202
2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 139203860
2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol
CID 159587394
1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine
CID 11268143
4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 136775436
4-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3-diol
CID 157078138
1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine
CID 11332064

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel?
The IUPAC name of 2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel (CID 135987838) is 2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel.
What is the SMILES notation for 2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel?
The canonical SMILES for 2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel is Oc1ccccc1/C=N/C1CCCCC1/N=C/c1ccccc1O.[Ni].
What is the InChIKey of 2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel?
The InChIKey is VSLMRBLFGZCMNI-JKBLJYNNSA-N. The full InChI is InChI=1S/C20H22N2O2.Ni/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-2,5-8,11-14,17-18,23-24H,3-4,9-10H2;/b21-13+,22-14+;.
What are the key properties of 2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel?
2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel has a molecular weight of 381.10 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel is sourced from PubChem (CID 135987838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).