1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine

C22H18Br2ClNO2 — CID 126220707

IUPAC1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine
SMILESCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(Br)cc1
InChIInChI=1S/C22H18Br2ClNO2/c1-14-3-8-18(25)11-20(14)26-12-16-9-19(24)22(21(10-16)27-2)28-13-15-4-6-17(23)7-5-15/h3-12H,13H2,1-2H3/b26-12+
InChIKeyVMWSYARACCLJHL-RPPGKUMJSA-N
MW523.65 g/mol
LogP7.51
Rot. Bonds6

About 1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine

1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine (PubChem CID 126220707) has the molecular formula C22H18Br2ClNO2 and a molecular weight of 523.65 g/mol. Its IUPAC name is 1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine
PubChem CID126220707
Molecular FormulaC22H18Br2ClNO2
Molecular Weight523.65 g/mol
Exact Mass520.94
IUPAC Name1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine
SMILESCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(Br)cc1
InChIInChI=1S/C22H18Br2ClNO2/c1-14-3-8-18(25)11-20(14)26-12-16-9-19(24)22(21(10-16)27-2)28-13-15-4-6-17(23)7-5-15/h3-12H,13H2,1-2H3/b26-12+
InChIKeyVMWSYARACCLJHL-RPPGKUMJSA-N
XLogP7.51
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.65
LogP ≤ 57.51
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-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126219547
N-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine
CID 126220024
4-[[2-bromo-4-[(5-chloro-2-methylphenyl)iminomethyl]-6-ethoxyphenoxy]methyl]benzoic acid
CID 126218954
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126224885
1-[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126217209
1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126220285
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 1321073
N-(3-chloro-4-methylphenyl)-1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methanimine
CID 126216784
N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]methanamine
CID 110340974
N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-methylmethanamine
CID 110340975
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine
CID 126219299
1-[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126221367

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine?
The IUPAC name of 1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine (CID 126220707) is 1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine.
What is the SMILES notation for 1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine?
The canonical SMILES for 1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine is COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(Br)cc1.
What is the InChIKey of 1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine?
The InChIKey is VMWSYARACCLJHL-RPPGKUMJSA-N. The full InChI is InChI=1S/C22H18Br2ClNO2/c1-14-3-8-18(25)11-20(14)26-12-16-9-19(24)22(21(10-16)27-2)28-13-15-4-6-17(23)7-5-15/h3-12H,13H2,1-2H3/b26-12+.
What are the key properties of 1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine?
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine has a molecular weight of 523.65 g/mol, XLogP of 7.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine is sourced from PubChem (CID 126220707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).