N-[(2-hydroxy-1H-indol-3-yl)imino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide

C26H25N5O2 — CID 3733193

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C26H25N5O2/c32-25(29-28-24-22-8-4-5-9-23(22)27-26(24)33)20-12-10-19(11-13-20)18-30-14-16-31(17-15-30)21-6-2-1-3-7-21/h1-13,27,33H,14-18H2/b29-28+
InChIKeyQKZVLWIHURHKBF-ZQHSETAFSA-N
MW439.52 g/mol
LogP5.12
Rot. Bonds5

About N-[(2-hydroxy-1H-indol-3-yl)imino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide (PubChem CID 3733193) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
PubChem CID3733193
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C26H25N5O2/c32-25(29-28-24-22-8-4-5-9-23(22)27-26(24)33)20-12-10-19(11-13-20)18-30-14-16-31(17-15-30)21-6-2-1-3-7-21/h1-13,27,33H,14-18H2/b29-28+
InChIKeyQKZVLWIHURHKBF-ZQHSETAFSA-N
XLogP5.12
TPSA84.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2-hydroxy-1H-indol-3-yl)imino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide (CID 3733193) is N-[(2-hydroxy-1H-indol-3-yl)imino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide is O=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccc(CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
The InChIKey is QKZVLWIHURHKBF-ZQHSETAFSA-N. The full InChI is InChI=1S/C26H25N5O2/c32-25(29-28-24-22-8-4-5-9-23(22)27-26(24)33)20-12-10-19(11-13-20)18-30-14-16-31(17-15-30)21-6-2-1-3-7-21/h1-13,27,33H,14-18H2/b29-28+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide has a molecular weight of 439.52 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 3733193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).