1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-(4-iodophenyl)methanimine

C20H14Br2INO — CID 126191637

IUPAC1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-(4-iodophenyl)methanimine
SMILESBrc1ccc(COc2ccc(/C=N/c3ccc(I)cc3)cc2)c(Br)c1
InChIInChI=1S/C20H14Br2INO/c21-16-4-3-15(20(22)11-16)13-25-19-9-1-14(2-10-19)12-24-18-7-5-17(23)6-8-18/h1-12H,13H2/b24-12+
InChIKeyYCPVSOVNXZKEIZ-WYMPLXKRSA-N
MW571.05 g/mol
LogP7.15
Rot. Bonds5

About 1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-(4-iodophenyl)methanimine

1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-(4-iodophenyl)methanimine (PubChem CID 126191637) has the molecular formula C20H14Br2INO and a molecular weight of 571.05 g/mol. Its IUPAC name is 1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-(4-iodophenyl)methanimine.

Molecular Properties

Compound Name1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-(4-iodophenyl)methanimine
PubChem CID126191637
Molecular FormulaC20H14Br2INO
Molecular Weight571.05 g/mol
Exact Mass568.85
IUPAC Name1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-(4-iodophenyl)methanimine
SMILESBrc1ccc(COc2ccc(/C=N/c3ccc(I)cc3)cc2)c(Br)c1
InChIInChI=1S/C20H14Br2INO/c21-16-4-3-15(20(22)11-16)13-25-19-9-1-14(2-10-19)12-24-18-7-5-17(23)6-8-18/h1-12H,13H2/b24-12+
InChIKeyYCPVSOVNXZKEIZ-WYMPLXKRSA-N
XLogP7.15
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.05
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 126195588
N-(3-chloro-4-fluorophenyl)-1-[4-[(2,4-dibromophenyl)methoxy]phenyl]methanimine
CID 126191305
2-chloro-5-[[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]benzoic acid
CID 126193203
4-[[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]phenol
CID 3419984
1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 3137142
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126217206
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126217743
1-(4-chlorophenyl)-3-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]urea
CID 126192638
N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 126191522
N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
CID 126193121
2-bromo-1-[(4-iodophenoxy)methyl]-4-nitrobenzene
CID 63531123
4-bromo-1-[(4-iodophenoxy)methyl]-2-nitrobenzene
CID 114381630

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-(4-iodophenyl)methanimine?
The IUPAC name of 1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-(4-iodophenyl)methanimine (CID 126191637) is 1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-(4-iodophenyl)methanimine.
What is the SMILES notation for 1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-(4-iodophenyl)methanimine?
The canonical SMILES for 1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-(4-iodophenyl)methanimine is Brc1ccc(COc2ccc(/C=N/c3ccc(I)cc3)cc2)c(Br)c1.
What is the InChIKey of 1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-(4-iodophenyl)methanimine?
The InChIKey is YCPVSOVNXZKEIZ-WYMPLXKRSA-N. The full InChI is InChI=1S/C20H14Br2INO/c21-16-4-3-15(20(22)11-16)13-25-19-9-1-14(2-10-19)12-24-18-7-5-17(23)6-8-18/h1-12H,13H2/b24-12+.
What are the key properties of 1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-(4-iodophenyl)methanimine?
1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-(4-iodophenyl)methanimine has a molecular weight of 571.05 g/mol, XLogP of 7.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-(4-iodophenyl)methanimine is sourced from PubChem (CID 126191637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).