N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide

C22H16IN3O2 — CID 4264049

IUPACN-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide
SMILESO=C(/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12)c1ccc(I)cc1
InChIInChI=1S/C22H16IN3O2/c23-17-12-10-16(11-13-17)21(27)25-24-20-18-8-4-5-9-19(18)26(22(20)28)14-15-6-2-1-3-7-15/h1-13,28H,14H2/b25-24+
InChIKeyFNCYJTYGIOZBQV-OCOZRVBESA-N
MW481.29 g/mol
LogP5.92
Rot. Bonds4

About N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide

N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide (PubChem CID 4264049) has the molecular formula C22H16IN3O2 and a molecular weight of 481.29 g/mol. Its IUPAC name is N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide.

Molecular Properties

Compound NameN-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide
PubChem CID4264049
Molecular FormulaC22H16IN3O2
Molecular Weight481.29 g/mol
Exact Mass481.03
IUPAC NameN-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide
SMILESO=C(/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12)c1ccc(I)cc1
InChIInChI=1S/C22H16IN3O2/c23-17-12-10-16(11-13-17)21(27)25-24-20-18-8-4-5-9-19(18)26(22(20)28)14-15-6-2-1-3-7-15/h1-13,28H,14H2/b25-24+
InChIKeyFNCYJTYGIOZBQV-OCOZRVBESA-N
XLogP5.92
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.29
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide
CID 2642096
N-(1-benzyl-2-hydroxyindol-3-yl)imino-1,3-benzodioxole-5-carboxamide
CID 2592780
N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-chloro-3-nitrobenzamide
CID 3702673
N-(1-benzyl-2-hydroxyindol-3-yl)imino-3-nitrobenzamide
CID 1098392
N-[2-hydroxy-1-[(3-nitrophenyl)methyl]indol-3-yl]iminobenzamide
CID 1016399
N-(1-benzyl-2-hydroxyindol-3-yl)imino-6-(hydroxyiminomethyl)pyridine-3-carboxamide
CID 135547717
N-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide
CID 1365608
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
N-(1-benzyl-2-hydroxyindol-3-yl)imino-2-nitrobenzamide
CID 1098391
N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide
CID 3532404
4-hydroxy-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide
CID 137172294
1-N,4-N-bis[(2-hydroxy-1-prop-2-enylindol-3-yl)imino]benzene-1,4-dicarboxamide
CID 1048805

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide?
The IUPAC name of N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide (CID 4264049) is N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide.
What is the SMILES notation for N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide?
The canonical SMILES for N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide is O=C(/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12)c1ccc(I)cc1.
What is the InChIKey of N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide?
The InChIKey is FNCYJTYGIOZBQV-OCOZRVBESA-N. The full InChI is InChI=1S/C22H16IN3O2/c23-17-12-10-16(11-13-17)21(27)25-24-20-18-8-4-5-9-19(18)26(22(20)28)14-15-6-2-1-3-7-15/h1-13,28H,14H2/b25-24+.
What are the key properties of N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide?
N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide has a molecular weight of 481.29 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide is sourced from PubChem (CID 4264049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).