3-[benzyl(phenyl)hydrazinylidene]-1H-indol-2-one

C21H17N3O — CID 135399193

IUPAC3-[benzyl(phenyl)hydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N3O/c25-21-20(18-13-7-8-14-19(18)22-21)23-24(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,22,23,25)
InChIKeyFWTZAACCGUZJJE-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.05
Rot. Bonds4

About 3-[benzyl(phenyl)hydrazinylidene]-1H-indol-2-one

3-[benzyl(phenyl)hydrazinylidene]-1H-indol-2-one (PubChem CID 135399193) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-[benzyl(phenyl)hydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[benzyl(phenyl)hydrazinylidene]-1H-indol-2-one
PubChem CID135399193
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name3-[benzyl(phenyl)hydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N3O/c25-21-20(18-13-7-8-14-19(18)22-21)23-24(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,22,23,25)
InChIKeyFWTZAACCGUZJJE-UHFFFAOYSA-N
XLogP4.05
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-Methylanilino)indol-2-one
CID 135412515
2-Indolinone, 3-(phenylimino)-
CID 135442567
3-(diphenylhydrazinylidene)-1,3-dihydro-2H-indol-2-one
CID 135439090
3,3-bis(4-aminophenyl)-1H-indol-2-one
CID 2894099
(3Z)-3-{[3-(trifluoromethyl)phenyl]imino}-1,3-dihydro-2H-indol-2-one
CID 135411930
3-(Biphenyl-2-ylamino)-2h-indol-2-one
CID 135478723
7-Methyl-3-p-tolylimino-1,3-dihydro-indol-2-one
CID 135495650
Acetamide, N-[4-(4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl)phenyl]-
CID 3292253
(3Z)-3-[(2,4,6-trimethylphenyl)imino]-1,3-dihydro-2H-indol-2-one
CID 135406219
3-(4-Fluoroanilino)indol-2-one
CID 135478724
3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-1H-indol-2-one
CID 135437122
(3E)-3-[(2,4-Dimethylphenyl)imino]-1,3-dihydro-2H-indol-2-one
CID 135502033

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(phenyl)hydrazinylidene]-1H-indol-2-one?
The IUPAC name of 3-[benzyl(phenyl)hydrazinylidene]-1H-indol-2-one (CID 135399193) is 3-[benzyl(phenyl)hydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[benzyl(phenyl)hydrazinylidene]-1H-indol-2-one?
The canonical SMILES for 3-[benzyl(phenyl)hydrazinylidene]-1H-indol-2-one is O=C1Nc2ccccc2C1=NN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-[benzyl(phenyl)hydrazinylidene]-1H-indol-2-one?
The InChIKey is FWTZAACCGUZJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c25-21-20(18-13-7-8-14-19(18)22-21)23-24(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,22,23,25).
What are the key properties of 3-[benzyl(phenyl)hydrazinylidene]-1H-indol-2-one?
3-[benzyl(phenyl)hydrazinylidene]-1H-indol-2-one has a molecular weight of 327.39 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(phenyl)hydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135399193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).