3-[benzyl(phenyl)hydrazinylidene]-5-nitro-1H-indol-2-one

C21H16N4O3 — CID 135420626

IUPAC3-[benzyl(phenyl)hydrazinylidene]-5-nitro-1H-indol-2-one
SMILESO=C1Nc2ccc([N+](=O)[O-])cc2C1=NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N4O3/c26-21-20(18-13-17(25(27)28)11-12-19(18)22-21)23-24(16-9-5-2-6-10-16)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,22,23,26)
InChIKeyHLSDZYZFMODFGF-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.96
Rot. Bonds5

About 3-[benzyl(phenyl)hydrazinylidene]-5-nitro-1H-indol-2-one

3-[benzyl(phenyl)hydrazinylidene]-5-nitro-1H-indol-2-one (PubChem CID 135420626) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 3-[benzyl(phenyl)hydrazinylidene]-5-nitro-1H-indol-2-one.

Molecular Properties

Compound Name3-[benzyl(phenyl)hydrazinylidene]-5-nitro-1H-indol-2-one
PubChem CID135420626
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name3-[benzyl(phenyl)hydrazinylidene]-5-nitro-1H-indol-2-one
SMILESO=C1Nc2ccc([N+](=O)[O-])cc2C1=NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N4O3/c26-21-20(18-13-17(25(27)28)11-12-19(18)22-21)23-24(16-9-5-2-6-10-16)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,22,23,26)
InChIKeyHLSDZYZFMODFGF-UHFFFAOYSA-N
XLogP3.96
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-benzylpiperazin-1-yl)imino-5-nitro-1H-indol-2-one
CID 135412395
3-[3-(hydroxymethyl)phenyl]imino-5-nitro-1H-indol-2-one
CID 135472416
3-nitro-5,12-dihydrobenzo[c][1,6]benzodiazocine-6,11-dione
CID 3128964
methane;5-nitro-1H-indole-2,3-dione
CID 174942814
3-butyl-1-methyl-1-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)amino]thiourea
CID 135838810
3-indazol-1-ylimino-5-nitro-1H-indol-2-one;hydrochloride
CID 154774436
3-(4-tert-butylphenyl)imino-5-nitro-1H-indol-2-one
CID 135799773
(3Z)-5-chloro-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one
CID 135747131
3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one
CID 135519848
3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one
CID 135416717
3-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-nitro-1H-indol-2-one
CID 172639983
N-benzyl-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
CID 23507092

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(phenyl)hydrazinylidene]-5-nitro-1H-indol-2-one?
The IUPAC name of 3-[benzyl(phenyl)hydrazinylidene]-5-nitro-1H-indol-2-one (CID 135420626) is 3-[benzyl(phenyl)hydrazinylidene]-5-nitro-1H-indol-2-one.
What is the SMILES notation for 3-[benzyl(phenyl)hydrazinylidene]-5-nitro-1H-indol-2-one?
The canonical SMILES for 3-[benzyl(phenyl)hydrazinylidene]-5-nitro-1H-indol-2-one is O=C1Nc2ccc([N+](=O)[O-])cc2C1=NN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-[benzyl(phenyl)hydrazinylidene]-5-nitro-1H-indol-2-one?
The InChIKey is HLSDZYZFMODFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c26-21-20(18-13-17(25(27)28)11-12-19(18)22-21)23-24(16-9-5-2-6-10-16)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,22,23,26).
What are the key properties of 3-[benzyl(phenyl)hydrazinylidene]-5-nitro-1H-indol-2-one?
3-[benzyl(phenyl)hydrazinylidene]-5-nitro-1H-indol-2-one has a molecular weight of 372.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(phenyl)hydrazinylidene]-5-nitro-1H-indol-2-one is sourced from PubChem (CID 135420626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).