N-(2-hydroxy-1-pentylindol-3-yl)iminobenzamide

C20H21N3O2 — CID 2691386

IUPACN-(2-hydroxy-1-pentylindol-3-yl)iminobenzamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C20H21N3O2/c1-2-3-9-14-23-17-13-8-7-12-16(17)18(20(23)25)21-22-19(24)15-10-5-4-6-11-15/h4-8,10-13,25H,2-3,9,14H2,1H3/b22-21+
InChIKeyXPLMQEMEOJHAQP-QURGRASLSA-N
MW335.41 g/mol
LogP5.46
Rot. Bonds6

About N-(2-hydroxy-1-pentylindol-3-yl)iminobenzamide

N-(2-hydroxy-1-pentylindol-3-yl)iminobenzamide (PubChem CID 2691386) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(2-hydroxy-1-pentylindol-3-yl)iminobenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-pentylindol-3-yl)iminobenzamide
PubChem CID2691386
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(2-hydroxy-1-pentylindol-3-yl)iminobenzamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C20H21N3O2/c1-2-3-9-14-23-17-13-8-7-12-16(17)18(20(23)25)21-22-19(24)15-10-5-4-6-11-15/h4-8,10-13,25H,2-3,9,14H2,1H3/b22-21+
InChIKeyXPLMQEMEOJHAQP-QURGRASLSA-N
XLogP5.46
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-hydroxy-1-pentylindol-3-yl)iminobenzamide 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-1-pentylindol-3-yl)iminobenzamide?
The IUPAC name of N-(2-hydroxy-1-pentylindol-3-yl)iminobenzamide (CID 2691386) is N-(2-hydroxy-1-pentylindol-3-yl)iminobenzamide.
What is the SMILES notation for N-(2-hydroxy-1-pentylindol-3-yl)iminobenzamide?
The canonical SMILES for N-(2-hydroxy-1-pentylindol-3-yl)iminobenzamide is CCCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of N-(2-hydroxy-1-pentylindol-3-yl)iminobenzamide?
The InChIKey is XPLMQEMEOJHAQP-QURGRASLSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-3-9-14-23-17-13-8-7-12-16(17)18(20(23)25)21-22-19(24)15-10-5-4-6-11-15/h4-8,10-13,25H,2-3,9,14H2,1H3/b22-21+.
What are the key properties of N-(2-hydroxy-1-pentylindol-3-yl)iminobenzamide?
N-(2-hydroxy-1-pentylindol-3-yl)iminobenzamide has a molecular weight of 335.41 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-pentylindol-3-yl)iminobenzamide is sourced from PubChem (CID 2691386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).