1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine

C26H19Cl2NO2 — CID 126216177

IUPAC1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
SMILESClc1ccc(OCc2ccccc2Cl)c(/C=N/c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C26H19Cl2NO2/c27-21-10-15-26(30-18-19-6-4-5-9-25(19)28)20(16-21)17-29-22-11-13-24(14-12-22)31-23-7-2-1-3-8-23/h1-17H,18H2/b29-17+
InChIKeyIVADKONDEOMALT-STBIYBPSSA-N
MW448.35 g/mol
LogP8.12
Rot. Bonds7

About 1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine

1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine (PubChem CID 126216177) has the molecular formula C26H19Cl2NO2 and a molecular weight of 448.35 g/mol. Its IUPAC name is 1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
PubChem CID126216177
Molecular FormulaC26H19Cl2NO2
Molecular Weight448.35 g/mol
Exact Mass447.08
IUPAC Name1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
SMILESClc1ccc(OCc2ccccc2Cl)c(/C=N/c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C26H19Cl2NO2/c27-21-10-15-26(30-18-19-6-4-5-9-25(19)28)20(16-21)17-29-22-11-13-24(14-12-22)31-23-7-2-1-3-8-23/h1-17H,18H2/b29-17+
InChIKeyIVADKONDEOMALT-STBIYBPSSA-N
XLogP8.12
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.35
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126224806
[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530089
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126221091
1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126215516
1-(5-chloro-2-ethoxyphenyl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 126099886
1-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126222259
1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126222826
1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126225144
4-[[4-chloro-2-(phenyliminomethyl)phenoxy]methyl]benzoic acid
CID 126224839
1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126205106
4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzoate
CID 7640518
1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220882

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine?
The IUPAC name of 1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine (CID 126216177) is 1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine.
What is the SMILES notation for 1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine?
The canonical SMILES for 1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine is Clc1ccc(OCc2ccccc2Cl)c(/C=N/c2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine?
The InChIKey is IVADKONDEOMALT-STBIYBPSSA-N. The full InChI is InChI=1S/C26H19Cl2NO2/c27-21-10-15-26(30-18-19-6-4-5-9-25(19)28)20(16-21)17-29-22-11-13-24(14-12-22)31-23-7-2-1-3-8-23/h1-17H,18H2/b29-17+.
What are the key properties of 1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine?
1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine has a molecular weight of 448.35 g/mol, XLogP of 8.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine is sourced from PubChem (CID 126216177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).