1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine

C24H22Br2N2O4 — CID 101215350

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine
SMILESCOc1cc(Br)c(/C=N/c2ccc(/N=C/c3cc(OC)c(OC)cc3Br)cc2)cc1OC
InChIInChI=1S/C24H22Br2N2O4/c1-29-21-9-15(19(25)11-23(21)31-3)13-27-17-5-7-18(8-6-17)28-14-16-10-22(30-2)24(32-4)12-20(16)26/h5-14H,1-4H3/b27-13+,28-14+
InChIKeyFXLHQGBODRVBCD-OCHFTUDZSA-N
MW562.26 g/mol
LogP6.75
Rot. Bonds8

About 1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine

1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine (PubChem CID 101215350) has the molecular formula C24H22Br2N2O4 and a molecular weight of 562.26 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine
PubChem CID101215350
Molecular FormulaC24H22Br2N2O4
Molecular Weight562.26 g/mol
Exact Mass559.99
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine
SMILESCOc1cc(Br)c(/C=N/c2ccc(/N=C/c3cc(OC)c(OC)cc3Br)cc2)cc1OC
InChIInChI=1S/C24H22Br2N2O4/c1-29-21-9-15(19(25)11-23(21)31-3)13-27-17-5-7-18(8-6-17)28-14-16-10-22(30-2)24(32-4)12-20(16)26/h5-14H,1-4H3/b27-13+,28-14+
InChIKeyFXLHQGBODRVBCD-OCHFTUDZSA-N
XLogP6.75
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.26
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine (CID 101215350) is 1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine is COc1cc(Br)c(/C=N/c2ccc(/N=C/c3cc(OC)c(OC)cc3Br)cc2)cc1OC.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine?
The InChIKey is FXLHQGBODRVBCD-OCHFTUDZSA-N. The full InChI is InChI=1S/C24H22Br2N2O4/c1-29-21-9-15(19(25)11-23(21)31-3)13-27-17-5-7-18(8-6-17)28-14-16-10-22(30-2)24(32-4)12-20(16)26/h5-14H,1-4H3/b27-13+,28-14+.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine?
1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine has a molecular weight of 562.26 g/mol, XLogP of 6.75, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine is sourced from PubChem (CID 101215350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).