(3Z)-1-acetyl-3-(benzhydrylidenehydrazinylidene)indol-2-one

C23H17N3O2 — CID 6904064

IUPAC(3Z)-1-acetyl-3-(benzhydrylidenehydrazinylidene)indol-2-one
SMILESCC(=O)N1C(=O)/C(=N\N=C(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H17N3O2/c1-16(27)26-20-15-9-8-14-19(20)22(23(26)28)25-24-21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3/b25-22-
InChIKeyAHRIJLLFTJSNRB-LVWGJNHUSA-N
MW367.41 g/mol
LogP3.82
Rot. Bonds3

About (3Z)-1-acetyl-3-(benzhydrylidenehydrazinylidene)indol-2-one

(3Z)-1-acetyl-3-(benzhydrylidenehydrazinylidene)indol-2-one (PubChem CID 6904064) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is (3Z)-1-acetyl-3-(benzhydrylidenehydrazinylidene)indol-2-one.

Molecular Properties

Compound Name(3Z)-1-acetyl-3-(benzhydrylidenehydrazinylidene)indol-2-one
PubChem CID6904064
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name(3Z)-1-acetyl-3-(benzhydrylidenehydrazinylidene)indol-2-one
SMILESCC(=O)N1C(=O)/C(=N\N=C(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H17N3O2/c1-16(27)26-20-15-9-8-14-19(20)22(23(26)28)25-24-21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3/b25-22-
InChIKeyAHRIJLLFTJSNRB-LVWGJNHUSA-N
XLogP3.82
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze (3Z)-1-acetyl-3-(benzhydrylidenehydrazinylidene)indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-acetyl-3-(benzhydrylidenehydrazinylidene)indol-2-one?
The IUPAC name of (3Z)-1-acetyl-3-(benzhydrylidenehydrazinylidene)indol-2-one (CID 6904064) is (3Z)-1-acetyl-3-(benzhydrylidenehydrazinylidene)indol-2-one.
What is the SMILES notation for (3Z)-1-acetyl-3-(benzhydrylidenehydrazinylidene)indol-2-one?
The canonical SMILES for (3Z)-1-acetyl-3-(benzhydrylidenehydrazinylidene)indol-2-one is CC(=O)N1C(=O)/C(=N\N=C(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of (3Z)-1-acetyl-3-(benzhydrylidenehydrazinylidene)indol-2-one?
The InChIKey is AHRIJLLFTJSNRB-LVWGJNHUSA-N. The full InChI is InChI=1S/C23H17N3O2/c1-16(27)26-20-15-9-8-14-19(20)22(23(26)28)25-24-21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3/b25-22-.
What are the key properties of (3Z)-1-acetyl-3-(benzhydrylidenehydrazinylidene)indol-2-one?
(3Z)-1-acetyl-3-(benzhydrylidenehydrazinylidene)indol-2-one has a molecular weight of 367.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-acetyl-3-(benzhydrylidenehydrazinylidene)indol-2-one is sourced from PubChem (CID 6904064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).