1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine

C22H18Br2ClNO — CID 126219842

IUPAC1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
SMILESCc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C22H18Br2ClNO/c1-14-3-8-20(9-15(14)2)26-12-17-10-18(23)11-21(24)22(17)27-13-16-4-6-19(25)7-5-16/h3-12H,13H2,1-2H3/b26-12+
InChIKeyQCWJNSSSUWFKDA-RPPGKUMJSA-N
MW507.65 g/mol
LogP7.81
Rot. Bonds5

About 1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine

1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine (PubChem CID 126219842) has the molecular formula C22H18Br2ClNO and a molecular weight of 507.65 g/mol. Its IUPAC name is 1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
PubChem CID126219842
Molecular FormulaC22H18Br2ClNO
Molecular Weight507.65 g/mol
Exact Mass504.94
IUPAC Name1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
SMILESCc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C22H18Br2ClNO/c1-14-3-8-20(9-15(14)2)26-12-17-10-18(23)11-21(24)22(17)27-13-16-4-6-19(25)7-5-16/h3-12H,13H2,1-2H3/b26-12+
InChIKeyQCWJNSSSUWFKDA-RPPGKUMJSA-N
XLogP7.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.65
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126207810
1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126205449
4-[[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126222034
N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine
CID 581457
N-(3-chloro-4-methylphenyl)-1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methanimine
CID 126216784
1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
CID 126208407
1-[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126206151
N-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine
CID 126207516
1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126208760
N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine
CID 126219288
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126218660
1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126214908

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine?
The IUPAC name of 1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine (CID 126219842) is 1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine.
What is the SMILES notation for 1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine?
The canonical SMILES for 1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine is Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1C.
What is the InChIKey of 1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine?
The InChIKey is QCWJNSSSUWFKDA-RPPGKUMJSA-N. The full InChI is InChI=1S/C22H18Br2ClNO/c1-14-3-8-20(9-15(14)2)26-12-17-10-18(23)11-21(24)22(17)27-13-16-4-6-19(25)7-5-16/h3-12H,13H2,1-2H3/b26-12+.
What are the key properties of 1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine?
1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine has a molecular weight of 507.65 g/mol, XLogP of 7.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine is sourced from PubChem (CID 126219842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).