4-hydroxy-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide

C26H19N3O3 — CID 137172294

IUPAC4-hydroxy-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide
SMILESO=C(/N=N/c1c(O)n(Cc2cccc3ccccc23)c2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C26H19N3O3/c30-20-14-12-18(13-15-20)25(31)28-27-24-22-10-3-4-11-23(22)29(26(24)32)16-19-8-5-7-17-6-1-2-9-21(17)19/h1-15,30,32H,16H2/b28-27+
InChIKeyYITITMAQZLWPEY-BYYHNAKLSA-N
MW421.46 g/mol
LogP6.18
Rot. Bonds4

About 4-hydroxy-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide

4-hydroxy-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide (PubChem CID 137172294) has the molecular formula C26H19N3O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is 4-hydroxy-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide
PubChem CID137172294
Molecular FormulaC26H19N3O3
Molecular Weight421.46 g/mol
Exact Mass421.14
IUPAC Name4-hydroxy-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide
SMILESO=C(/N=N/c1c(O)n(Cc2cccc3ccccc23)c2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C26H19N3O3/c30-20-14-12-18(13-15-20)25(31)28-27-24-22-10-3-4-11-23(22)29(26(24)32)16-19-8-5-7-17-6-1-2-9-21(17)19/h1-15,30,32H,16H2/b28-27+
InChIKeyYITITMAQZLWPEY-BYYHNAKLSA-N
XLogP6.18
TPSA87.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 56.18
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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Related Compounds

2-chloro-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide
CID 137172299
N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]imino-3-nitrobenzamide
CID 137172295
4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide
CID 2642096
N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide
CID 4264049
1-N,4-N-bis[(2-hydroxy-1-prop-2-enylindol-3-yl)imino]benzene-1,4-dicarboxamide
CID 1048805
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 2642229
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444
N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide
CID 2696561
methyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
CID 1270570
2-(4-tert-butylphenyl)-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminocyclopropane-1-carboxamide
CID 135645874
N-[2-hydroxy-1-[(3-nitrophenyl)methyl]indol-3-yl]iminobenzamide
CID 1016399

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide?
The IUPAC name of 4-hydroxy-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide (CID 137172294) is 4-hydroxy-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide.
What is the SMILES notation for 4-hydroxy-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide?
The canonical SMILES for 4-hydroxy-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide is O=C(/N=N/c1c(O)n(Cc2cccc3ccccc23)c2ccccc12)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide?
The InChIKey is YITITMAQZLWPEY-BYYHNAKLSA-N. The full InChI is InChI=1S/C26H19N3O3/c30-20-14-12-18(13-15-20)25(31)28-27-24-22-10-3-4-11-23(22)29(26(24)32)16-19-8-5-7-17-6-1-2-9-21(17)19/h1-15,30,32H,16H2/b28-27+.
What are the key properties of 4-hydroxy-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide?
4-hydroxy-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide has a molecular weight of 421.46 g/mol, XLogP of 6.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide is sourced from PubChem (CID 137172294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).