2-benzyl-3-iminoisoindol-1-one

C15H12N2O — CID 122387941

IUPAC2-benzyl-3-iminoisoindol-1-one
SMILES[H]/N=C1\c2ccccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H12N2O/c16-14-12-8-4-5-9-13(12)15(18)17(14)10-11-6-2-1-3-7-11/h1-9,16H,10H2/b16-14+
InChIKeyFQWSZXGYZUOANG-JQIJEIRASA-N
MW236.27 g/mol
LogP2.67
Rot. Bonds2

About 2-benzyl-3-iminoisoindol-1-one

2-benzyl-3-iminoisoindol-1-one (PubChem CID 122387941) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-benzyl-3-iminoisoindol-1-one.

Molecular Properties

Compound Name2-benzyl-3-iminoisoindol-1-one
PubChem CID122387941
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name2-benzyl-3-iminoisoindol-1-one
SMILES[H]/N=C1\c2ccccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H12N2O/c16-14-12-8-4-5-9-13(12)15(18)17(14)10-11-6-2-1-3-7-11/h1-9,16H,10H2/b16-14+
InChIKeyFQWSZXGYZUOANG-JQIJEIRASA-N
XLogP2.67
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Benzylisoindolin-1-one
CID 1485883
N-(3-Phenylallyl)phthalimide
CID 5389074
Benzylphthalimide
CID 75059
8-Desaminobatracylin
CID 169740
1H-Isoindole-1,3(2H)-dione, 2-[(3,4-dihydro-1-isoquinolinyl)methyl]-
CID 625903
N-phenethyl phthalimide
CID 348641
3-Imino-2,3-dihydroisoindol-1-one
CID 135742374
2-[1-oxo-1-(2-phenyl-4,5-dihydro-1H-imidazol-1-yl)propan-2-yl]-1H-isoindole-1,3(2H)-dione
CID 3732697
2-benzyl-3-oxo-1H-isoindole-4-carboxamide
CID 73776794
2-Isoindolinebutyramide, 1,3-dioxo-
CID 18958
3,4-Dihydropyrimido(2,1-A)isoindol-6(2H)-one
CID 2803168
2-[(4-Fluorobenzoyl)amino]-1-isoindoliniminium bromide
CID 2980117

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-iminoisoindol-1-one?
The IUPAC name of 2-benzyl-3-iminoisoindol-1-one (CID 122387941) is 2-benzyl-3-iminoisoindol-1-one.
What is the SMILES notation for 2-benzyl-3-iminoisoindol-1-one?
The canonical SMILES for 2-benzyl-3-iminoisoindol-1-one is [H]/N=C1\c2ccccc2C(=O)N1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-iminoisoindol-1-one?
The InChIKey is FQWSZXGYZUOANG-JQIJEIRASA-N. The full InChI is InChI=1S/C15H12N2O/c16-14-12-8-4-5-9-13(12)15(18)17(14)10-11-6-2-1-3-7-11/h1-9,16H,10H2/b16-14+.
What are the key properties of 2-benzyl-3-iminoisoindol-1-one?
2-benzyl-3-iminoisoindol-1-one has a molecular weight of 236.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-iminoisoindol-1-one is sourced from PubChem (CID 122387941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).