N-benzyl-N'-(4-bromophenyl)methanediimine

C14H11BrN2 — CID 88599059

IUPACN-benzyl-N'-(4-bromophenyl)methanediimine
SMILESBrc1ccc(N=C=NCc2ccccc2)cc1
InChIInChI=1S/C14H11BrN2/c15-13-6-8-14(9-7-13)17-11-16-10-12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyONYKSRQWLKTSLA-UHFFFAOYSA-N
MW287.16 g/mol
LogP4.45
Rot. Bonds3

About N-benzyl-N'-(4-bromophenyl)methanediimine

N-benzyl-N'-(4-bromophenyl)methanediimine (PubChem CID 88599059) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-benzyl-N'-(4-bromophenyl)methanediimine.

Molecular Properties

Compound NameN-benzyl-N'-(4-bromophenyl)methanediimine
PubChem CID88599059
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC NameN-benzyl-N'-(4-bromophenyl)methanediimine
SMILESBrc1ccc(N=C=NCc2ccccc2)cc1
InChIInChI=1S/C14H11BrN2/c15-13-6-8-14(9-7-13)17-11-16-10-12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyONYKSRQWLKTSLA-UHFFFAOYSA-N
XLogP4.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-N'-(4-bromophenyl)methanediimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(4-bromophenyl)methanediimine?
The IUPAC name of N-benzyl-N'-(4-bromophenyl)methanediimine (CID 88599059) is N-benzyl-N'-(4-bromophenyl)methanediimine.
What is the SMILES notation for N-benzyl-N'-(4-bromophenyl)methanediimine?
The canonical SMILES for N-benzyl-N'-(4-bromophenyl)methanediimine is Brc1ccc(N=C=NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N'-(4-bromophenyl)methanediimine?
The InChIKey is ONYKSRQWLKTSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c15-13-6-8-14(9-7-13)17-11-16-10-12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of N-benzyl-N'-(4-bromophenyl)methanediimine?
N-benzyl-N'-(4-bromophenyl)methanediimine has a molecular weight of 287.16 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(4-bromophenyl)methanediimine is sourced from PubChem (CID 88599059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).