2-(3-imino-1H-isoindol-2-yl)-1-(4-phenylphenyl)ethanone;hydrobromide

C22H19BrN2O — CID 44635038

IUPAC2-(3-imino-1H-isoindol-2-yl)-1-(4-phenylphenyl)ethanone;hydrobromide
SMILESBr.[H]/N=C1/c2ccccc2CN1CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O.BrH/c23-22-20-9-5-4-8-19(20)14-24(22)15-21(25)18-12-10-17(11-13-18)16-6-2-1-3-7-16;/h1-13,23H,14-15H2;1H/b23-22-;
InChIKeyAVQOGYAVNKLWNS-YJACDMIVSA-N
MW407.31 g/mol
LogP4.96
Rot. Bonds4

About 2-(3-imino-1H-isoindol-2-yl)-1-(4-phenylphenyl)ethanone;hydrobromide

2-(3-imino-1H-isoindol-2-yl)-1-(4-phenylphenyl)ethanone;hydrobromide (PubChem CID 44635038) has the molecular formula C22H19BrN2O and a molecular weight of 407.31 g/mol. Its IUPAC name is 2-(3-imino-1H-isoindol-2-yl)-1-(4-phenylphenyl)ethanone;hydrobromide.

Molecular Properties

Compound Name2-(3-imino-1H-isoindol-2-yl)-1-(4-phenylphenyl)ethanone;hydrobromide
PubChem CID44635038
Molecular FormulaC22H19BrN2O
Molecular Weight407.31 g/mol
Exact Mass406.07
IUPAC Name2-(3-imino-1H-isoindol-2-yl)-1-(4-phenylphenyl)ethanone;hydrobromide
SMILESBr.[H]/N=C1/c2ccccc2CN1CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O.BrH/c23-22-20-9-5-4-8-19(20)14-24(22)15-21(25)18-12-10-17(11-13-18)16-6-2-1-3-7-16;/h1-13,23H,14-15H2;1H/b23-22-;
InChIKeyAVQOGYAVNKLWNS-YJACDMIVSA-N
XLogP4.96
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(3-imino-1H-isoindol-2-yl)-1-(4-phenylphenyl)ethanone;hydrobromide?
The IUPAC name of 2-(3-imino-1H-isoindol-2-yl)-1-(4-phenylphenyl)ethanone;hydrobromide (CID 44635038) is 2-(3-imino-1H-isoindol-2-yl)-1-(4-phenylphenyl)ethanone;hydrobromide.
What is the SMILES notation for 2-(3-imino-1H-isoindol-2-yl)-1-(4-phenylphenyl)ethanone;hydrobromide?
The canonical SMILES for 2-(3-imino-1H-isoindol-2-yl)-1-(4-phenylphenyl)ethanone;hydrobromide is Br.[H]/N=C1/c2ccccc2CN1CC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(3-imino-1H-isoindol-2-yl)-1-(4-phenylphenyl)ethanone;hydrobromide?
The InChIKey is AVQOGYAVNKLWNS-YJACDMIVSA-N. The full InChI is InChI=1S/C22H18N2O.BrH/c23-22-20-9-5-4-8-19(20)14-24(22)15-21(25)18-12-10-17(11-13-18)16-6-2-1-3-7-16;/h1-13,23H,14-15H2;1H/b23-22-;.
What are the key properties of 2-(3-imino-1H-isoindol-2-yl)-1-(4-phenylphenyl)ethanone;hydrobromide?
2-(3-imino-1H-isoindol-2-yl)-1-(4-phenylphenyl)ethanone;hydrobromide has a molecular weight of 407.31 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imino-1H-isoindol-2-yl)-1-(4-phenylphenyl)ethanone;hydrobromide is sourced from PubChem (CID 44635038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).