N-[(E)-benzylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide

C26H19N3O2 — CID 6904000

IUPACN-[(E)-benzylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
SMILESO=C(N/N=C/c1ccccc1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C26H19N3O2/c30-25(28-27-16-18-6-2-1-3-7-18)21-14-12-19(13-15-21)17-29-23-11-5-9-20-8-4-10-22(24(20)23)26(29)31/h1-16H,17H2,(H,28,30)/b27-16+
InChIKeyCLJPDYMKWKWPJY-JVWAILMASA-N
MW405.46 g/mol
LogP4.76
Rot. Bonds5

About N-[(E)-benzylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide

N-[(E)-benzylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide (PubChem CID 6904000) has the molecular formula C26H19N3O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
PubChem CID6904000
Molecular FormulaC26H19N3O2
Molecular Weight405.46 g/mol
Exact Mass405.15
IUPAC NameN-[(E)-benzylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
SMILESO=C(N/N=C/c1ccccc1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C26H19N3O2/c30-25(28-27-16-18-6-2-1-3-7-18)21-14-12-19(13-15-21)17-29-23-11-5-9-20-8-4-10-22(24(20)23)26(29)31/h1-16H,17H2,(H,28,30)/b27-16+
InChIKeyCLJPDYMKWKWPJY-JVWAILMASA-N
XLogP4.76
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide?
The IUPAC name of N-[(E)-benzylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide (CID 6904000) is N-[(E)-benzylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide?
The canonical SMILES for N-[(E)-benzylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide is O=C(N/N=C/c1ccccc1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1.
What is the InChIKey of N-[(E)-benzylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide?
The InChIKey is CLJPDYMKWKWPJY-JVWAILMASA-N. The full InChI is InChI=1S/C26H19N3O2/c30-25(28-27-16-18-6-2-1-3-7-18)21-14-12-19(13-15-21)17-29-23-11-5-9-20-8-4-10-22(24(20)23)26(29)31/h1-16H,17H2,(H,28,30)/b27-16+.
What are the key properties of N-[(E)-benzylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide?
N-[(E)-benzylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide has a molecular weight of 405.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide is sourced from PubChem (CID 6904000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).