N-(2-benzylphenyl)-1-(4-bromophenyl)methanimine

C20H16BrN — CID 2333971

IUPACN-(2-benzylphenyl)-1-(4-bromophenyl)methanimine
SMILESBrc1ccc(/C=N/c2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C20H16BrN/c21-19-12-10-17(11-13-19)15-22-20-9-5-4-8-18(20)14-16-6-2-1-3-7-16/h1-13,15H,14H2/b22-15+
InChIKeyBIGIQAFSBLYPGY-PXLXIMEGSA-N
MW350.26 g/mol
LogP5.79
Rot. Bonds4

About N-(2-benzylphenyl)-1-(4-bromophenyl)methanimine

N-(2-benzylphenyl)-1-(4-bromophenyl)methanimine (PubChem CID 2333971) has the molecular formula C20H16BrN and a molecular weight of 350.26 g/mol. Its IUPAC name is N-(2-benzylphenyl)-1-(4-bromophenyl)methanimine.

Molecular Properties

Compound NameN-(2-benzylphenyl)-1-(4-bromophenyl)methanimine
PubChem CID2333971
Molecular FormulaC20H16BrN
Molecular Weight350.26 g/mol
Exact Mass349.05
IUPAC NameN-(2-benzylphenyl)-1-(4-bromophenyl)methanimine
SMILESBrc1ccc(/C=N/c2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C20H16BrN/c21-19-12-10-17(11-13-19)15-22-20-9-5-4-8-18(20)14-16-6-2-1-3-7-16/h1-13,15H,14H2/b22-15+
InChIKeyBIGIQAFSBLYPGY-PXLXIMEGSA-N
XLogP5.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.26
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-(2-benzylphenyl)-1-(4-bromophenyl)methanimine?
The IUPAC name of N-(2-benzylphenyl)-1-(4-bromophenyl)methanimine (CID 2333971) is N-(2-benzylphenyl)-1-(4-bromophenyl)methanimine.
What is the SMILES notation for N-(2-benzylphenyl)-1-(4-bromophenyl)methanimine?
The canonical SMILES for N-(2-benzylphenyl)-1-(4-bromophenyl)methanimine is Brc1ccc(/C=N/c2ccccc2Cc2ccccc2)cc1.
What is the InChIKey of N-(2-benzylphenyl)-1-(4-bromophenyl)methanimine?
The InChIKey is BIGIQAFSBLYPGY-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H16BrN/c21-19-12-10-17(11-13-19)15-22-20-9-5-4-8-18(20)14-16-6-2-1-3-7-16/h1-13,15H,14H2/b22-15+.
What are the key properties of N-(2-benzylphenyl)-1-(4-bromophenyl)methanimine?
N-(2-benzylphenyl)-1-(4-bromophenyl)methanimine has a molecular weight of 350.26 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-1-(4-bromophenyl)methanimine is sourced from PubChem (CID 2333971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).