N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine

C22H22N2O — CID 20701710

IUPACN-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine
SMILESC/C(=N\Cc1ccccc1)c1ccc(/C(C)=N/Cc2ccccc2)o1
InChIInChI=1S/C22H22N2O/c1-17(23-15-19-9-5-3-6-10-19)21-13-14-22(25-21)18(2)24-16-20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3/b23-17+,24-18+
InChIKeyWOZAIIDTKUCXDX-GJHDBBOXSA-N
MW330.43 g/mol
LogP5.30
Rot. Bonds6

About N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine

N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine (PubChem CID 20701710) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine.

Molecular Properties

Compound NameN-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine
PubChem CID20701710
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine
SMILESC/C(=N\Cc1ccccc1)c1ccc(/C(C)=N/Cc2ccccc2)o1
InChIInChI=1S/C22H22N2O/c1-17(23-15-19-9-5-3-6-10-19)21-13-14-22(25-21)18(2)24-16-20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3/b23-17+,24-18+
InChIKeyWOZAIIDTKUCXDX-GJHDBBOXSA-N
XLogP5.30
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine?
The IUPAC name of N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine (CID 20701710) is N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine.
What is the SMILES notation for N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine?
The canonical SMILES for N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine is C/C(=N\Cc1ccccc1)c1ccc(/C(C)=N/Cc2ccccc2)o1.
What is the InChIKey of N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine?
The InChIKey is WOZAIIDTKUCXDX-GJHDBBOXSA-N. The full InChI is InChI=1S/C22H22N2O/c1-17(23-15-19-9-5-3-6-10-19)21-13-14-22(25-21)18(2)24-16-20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3/b23-17+,24-18+.
What are the key properties of N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine?
N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine has a molecular weight of 330.43 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine is sourced from PubChem (CID 20701710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).