N-(1-benzyl-2-hydroxy-6-methoxyindol-3-yl)iminobenzamide

C23H19N3O3 — CID 135924637

IUPACN-(1-benzyl-2-hydroxy-6-methoxyindol-3-yl)iminobenzamide
SMILESCOc1ccc2c(/N=N/C(=O)c3ccccc3)c(O)n(Cc3ccccc3)c2c1
InChIInChI=1S/C23H19N3O3/c1-29-18-12-13-19-20(14-18)26(15-16-8-4-2-5-9-16)23(28)21(19)24-25-22(27)17-10-6-3-7-11-17/h2-14,28H,15H2,1H3/b25-24+
InChIKeyLCYPZOKWCVLTQC-OCOZRVBESA-N
MW385.42 g/mol
LogP5.33
Rot. Bonds5

About N-(1-benzyl-2-hydroxy-6-methoxyindol-3-yl)iminobenzamide

N-(1-benzyl-2-hydroxy-6-methoxyindol-3-yl)iminobenzamide (PubChem CID 135924637) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(1-benzyl-2-hydroxy-6-methoxyindol-3-yl)iminobenzamide.

Molecular Properties

Compound NameN-(1-benzyl-2-hydroxy-6-methoxyindol-3-yl)iminobenzamide
PubChem CID135924637
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-(1-benzyl-2-hydroxy-6-methoxyindol-3-yl)iminobenzamide
SMILESCOc1ccc2c(/N=N/C(=O)c3ccccc3)c(O)n(Cc3ccccc3)c2c1
InChIInChI=1S/C23H19N3O3/c1-29-18-12-13-19-20(14-18)26(15-16-8-4-2-5-9-16)23(28)21(19)24-25-22(27)17-10-6-3-7-11-17/h2-14,28H,15H2,1H3/b25-24+
InChIKeyLCYPZOKWCVLTQC-OCOZRVBESA-N
XLogP5.33
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-hydroxy-6-methoxyindol-3-yl)iminobenzamide?
The IUPAC name of N-(1-benzyl-2-hydroxy-6-methoxyindol-3-yl)iminobenzamide (CID 135924637) is N-(1-benzyl-2-hydroxy-6-methoxyindol-3-yl)iminobenzamide.
What is the SMILES notation for N-(1-benzyl-2-hydroxy-6-methoxyindol-3-yl)iminobenzamide?
The canonical SMILES for N-(1-benzyl-2-hydroxy-6-methoxyindol-3-yl)iminobenzamide is COc1ccc2c(/N=N/C(=O)c3ccccc3)c(O)n(Cc3ccccc3)c2c1.
What is the InChIKey of N-(1-benzyl-2-hydroxy-6-methoxyindol-3-yl)iminobenzamide?
The InChIKey is LCYPZOKWCVLTQC-OCOZRVBESA-N. The full InChI is InChI=1S/C23H19N3O3/c1-29-18-12-13-19-20(14-18)26(15-16-8-4-2-5-9-16)23(28)21(19)24-25-22(27)17-10-6-3-7-11-17/h2-14,28H,15H2,1H3/b25-24+.
What are the key properties of N-(1-benzyl-2-hydroxy-6-methoxyindol-3-yl)iminobenzamide?
N-(1-benzyl-2-hydroxy-6-methoxyindol-3-yl)iminobenzamide has a molecular weight of 385.42 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-hydroxy-6-methoxyindol-3-yl)iminobenzamide is sourced from PubChem (CID 135924637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).