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

C22H17N3O3 — CID 2459796

IUPACN-(1-benzyl-2-hydroxyindol-3-yl)imino-4-hydroxybenzamide
SMILESO=C(/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C22H17N3O3/c26-17-12-10-16(11-13-17)21(27)24-23-20-18-8-4-5-9-19(18)25(22(20)28)14-15-6-2-1-3-7-15/h1-13,26,28H,14H2/b24-23+
InChIKeyUKDSFHJOPFEAOG-WCWDXBQESA-N
MW371.40 g/mol
LogP5.02
Rot. Bonds4

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

N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-hydroxybenzamide (PubChem CID 2459796) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-benzyl-2-hydroxyindol-3-yl)imino-4-hydroxybenzamide
PubChem CID2459796
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC NameN-(1-benzyl-2-hydroxyindol-3-yl)imino-4-hydroxybenzamide
SMILESO=C(/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C22H17N3O3/c26-17-12-10-16(11-13-17)21(27)24-23-20-18-8-4-5-9-19(18)25(22(20)28)14-15-6-2-1-3-7-15/h1-13,26,28H,14H2/b24-23+
InChIKeyUKDSFHJOPFEAOG-WCWDXBQESA-N
XLogP5.02
TPSA87.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.40
LogP ≤ 55.02
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-hydroxybenzamide?
The IUPAC name of N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-hydroxybenzamide (CID 2459796) is N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-hydroxybenzamide.
What is the SMILES notation for N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-hydroxybenzamide?
The canonical SMILES for N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-hydroxybenzamide is O=C(/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12)c1ccc(O)cc1.
What is the InChIKey of N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-hydroxybenzamide?
The InChIKey is UKDSFHJOPFEAOG-WCWDXBQESA-N. The full InChI is InChI=1S/C22H17N3O3/c26-17-12-10-16(11-13-17)21(27)24-23-20-18-8-4-5-9-19(18)25(22(20)28)14-15-6-2-1-3-7-15/h1-13,26,28H,14H2/b24-23+.
What are the key properties of N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-hydroxybenzamide?
N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-hydroxybenzamide has a molecular weight of 371.40 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-hydroxybenzamide is sourced from PubChem (CID 2459796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).