4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide

C22H18N4O2 — CID 2642096

IUPAC4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide
SMILESNc1ccc(C(=O)/N=N/c2c(O)n(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N4O2/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,14,23H2/b25-24+
InChIKeyRXBQMOTVZBHZCI-OCOZRVBESA-N
MW370.41 g/mol
LogP4.90
Rot. Bonds4

About 4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide

4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide (PubChem CID 2642096) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide.

Molecular Properties

Compound Name4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide
PubChem CID2642096
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide
SMILESNc1ccc(C(=O)/N=N/c2c(O)n(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N4O2/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,14,23H2/b25-24+
InChIKeyRXBQMOTVZBHZCI-OCOZRVBESA-N
XLogP4.90
TPSA92.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide
CID 4264049
4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 2642229
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
1-(1-benzyl-2-hydroxyindol-3-yl)iminoguanidine
CID 135754944
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide?
The IUPAC name of 4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide (CID 2642096) is 4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide.
What is the SMILES notation for 4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide?
The canonical SMILES for 4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide is Nc1ccc(C(=O)/N=N/c2c(O)n(Cc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide?
The InChIKey is RXBQMOTVZBHZCI-OCOZRVBESA-N. The full InChI is InChI=1S/C22H18N4O2/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,14,23H2/b25-24+.
What are the key properties of 4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide?
4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide has a molecular weight of 370.41 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide is sourced from PubChem (CID 2642096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).