2-(5-bromo-2-chlorophenyl)-3H-isoindol-1-imine

C14H10BrClN2 — CID 55223990

IUPAC2-(5-bromo-2-chlorophenyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1cc(Br)ccc1Cl
InChIInChI=1S/C14H10BrClN2/c15-10-5-6-12(16)13(7-10)18-8-9-3-1-2-4-11(9)14(18)17/h1-7,17H,8H2/b17-14+
InChIKeyWJNKGDSTJVUFJK-SAPNQHFASA-N
MW321.61 g/mol
LogP4.45
Rot. Bonds1

About 2-(5-bromo-2-chlorophenyl)-3H-isoindol-1-imine

2-(5-bromo-2-chlorophenyl)-3H-isoindol-1-imine (PubChem CID 55223990) has the molecular formula C14H10BrClN2 and a molecular weight of 321.61 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenyl)-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenyl)-3H-isoindol-1-imine
PubChem CID55223990
Molecular FormulaC14H10BrClN2
Molecular Weight321.61 g/mol
Exact Mass319.97
IUPAC Name2-(5-bromo-2-chlorophenyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1cc(Br)ccc1Cl
InChIInChI=1S/C14H10BrClN2/c15-10-5-6-12(16)13(7-10)18-8-9-3-1-2-4-11(9)14(18)17/h1-7,17H,8H2/b17-14+
InChIKeyWJNKGDSTJVUFJK-SAPNQHFASA-N
XLogP4.45
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.61
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-2-chlorophenyl)-3H-isoindol-1-imine 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 2-(5-bromo-2-chlorophenyl)-3H-isoindol-1-imine?
The IUPAC name of 2-(5-bromo-2-chlorophenyl)-3H-isoindol-1-imine (CID 55223990) is 2-(5-bromo-2-chlorophenyl)-3H-isoindol-1-imine.
What is the SMILES notation for 2-(5-bromo-2-chlorophenyl)-3H-isoindol-1-imine?
The canonical SMILES for 2-(5-bromo-2-chlorophenyl)-3H-isoindol-1-imine is [H]/N=C1\c2ccccc2CN1c1cc(Br)ccc1Cl.
What is the InChIKey of 2-(5-bromo-2-chlorophenyl)-3H-isoindol-1-imine?
The InChIKey is WJNKGDSTJVUFJK-SAPNQHFASA-N. The full InChI is InChI=1S/C14H10BrClN2/c15-10-5-6-12(16)13(7-10)18-8-9-3-1-2-4-11(9)14(18)17/h1-7,17H,8H2/b17-14+.
What are the key properties of 2-(5-bromo-2-chlorophenyl)-3H-isoindol-1-imine?
2-(5-bromo-2-chlorophenyl)-3H-isoindol-1-imine has a molecular weight of 321.61 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenyl)-3H-isoindol-1-imine is sourced from PubChem (CID 55223990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).