4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol

C25H28N4O — CID 139174160

IUPAC4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol
SMILESCC(C)c1cc(/C=N/CCc2ccccn2)c(O)c(/C=N/CCc2ccccn2)c1
InChIInChI=1S/C25H28N4O/c1-19(2)20-15-21(17-26-13-9-23-7-3-5-11-28-23)25(30)22(16-20)18-27-14-10-24-8-4-6-12-29-24/h3-8,11-12,15-19,30H,9-10,13-14H2,1-2H3/b26-17+,27-18+
InChIKeyHHCOIPUTXUIBQB-HEPXYTLMSA-N
MW400.53 g/mol
LogP4.63
Rot. Bonds9

About 4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol

4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol (PubChem CID 139174160) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol.

Molecular Properties

Compound Name4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol
PubChem CID139174160
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol
SMILESCC(C)c1cc(/C=N/CCc2ccccn2)c(O)c(/C=N/CCc2ccccn2)c1
InChIInChI=1S/C25H28N4O/c1-19(2)20-15-21(17-26-13-9-23-7-3-5-11-28-23)25(30)22(16-20)18-27-14-10-24-8-4-6-12-29-24/h3-8,11-12,15-19,30H,9-10,13-14H2,1-2H3/b26-17+,27-18+
InChIKeyHHCOIPUTXUIBQB-HEPXYTLMSA-N
XLogP4.63
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol
CID 136738932
2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol
CID 136832873
2,6-bis[bis(pyridin-2-ylmethyl)amino]-4-propan-2-ylphenol
CID 138529941
N-(2-pyridin-2-ylethyl)-1-[3-(2-pyridin-2-ylethyliminomethyl)-1H-pyrazol-5-yl]methanimine
CID 136836155
1-(1-methyltriazol-4-yl)-N-(2-pyridin-2-ylethyl)methanimine
CID 132512945
nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol)
CID 3688663
trizinc;bis(acetonitrile);tetrakis(2,4-dibromo-6-(2-pyridin-2-ylethyliminomethyl)phenolate);diperchlorate
CID 139088645
cobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate
CID 161219706
benzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol
CID 171438202
1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one
CID 105097579
1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363919
3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline
CID 60719749

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol?
The IUPAC name of 4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol (CID 139174160) is 4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol.
What is the SMILES notation for 4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol?
The canonical SMILES for 4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol is CC(C)c1cc(/C=N/CCc2ccccn2)c(O)c(/C=N/CCc2ccccn2)c1.
What is the InChIKey of 4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol?
The InChIKey is HHCOIPUTXUIBQB-HEPXYTLMSA-N. The full InChI is InChI=1S/C25H28N4O/c1-19(2)20-15-21(17-26-13-9-23-7-3-5-11-28-23)25(30)22(16-20)18-27-14-10-24-8-4-6-12-29-24/h3-8,11-12,15-19,30H,9-10,13-14H2,1-2H3/b26-17+,27-18+.
What are the key properties of 4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol?
4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol has a molecular weight of 400.53 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol is sourced from PubChem (CID 139174160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).