3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one

C22H14N4O2 — CID 135406079

IUPAC3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1ccccc1/N=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C22H14N4O2/c27-21-19(13-7-1-3-9-15(13)25-21)23-17-11-5-6-12-18(17)24-20-14-8-2-4-10-16(14)26-22(20)28/h1-12H,(H,23,25,27)(H,24,26,28)
InChIKeyGRDONXZQIVAOMK-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.83
Rot. Bonds2

About 3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one

3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one (PubChem CID 135406079) has the molecular formula C22H14N4O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one.

Molecular Properties

Compound Name3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one
PubChem CID135406079
Molecular FormulaC22H14N4O2
Molecular Weight366.38 g/mol
Exact Mass366.11
IUPAC Name3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1ccccc1/N=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C22H14N4O2/c27-21-19(13-7-1-3-9-15(13)25-21)23-17-11-5-6-12-18(17)24-20-14-8-2-4-10-16(14)26-22(20)28/h1-12H,(H,23,25,27)(H,24,26,28)
InChIKeyGRDONXZQIVAOMK-UHFFFAOYSA-N
XLogP3.83
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-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

Related Compounds

3-(2-iodophenyl)imino-1H-indol-2-one
CID 135454715
3-(2,4-difluorophenyl)imino-1H-indol-2-one
CID 135473672
3-(4-iodophenyl)imino-1H-indol-2-one
CID 135411934
2-[(2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
CID 135484693
3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one
CID 135416717
3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one
CID 135519848
3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135502764
3-[(1R,2R)-2-[(2-oxo-1H-indol-3-ylidene)amino]cyclohexyl]imino-1H-indol-2-one
CID 139084077
3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate
CID 135516462
1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea
CID 135995901
3-(4-phenylpiperazin-1-yl)imino-1H-indol-2-one
CID 135455698
[(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate
CID 136661922

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one?
The IUPAC name of 3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one (CID 135406079) is 3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one.
What is the SMILES notation for 3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one?
The canonical SMILES for 3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one is O=C1Nc2ccccc2/C1=N/c1ccccc1/N=C1/C(=O)Nc2ccccc21.
What is the InChIKey of 3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one?
The InChIKey is GRDONXZQIVAOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O2/c27-21-19(13-7-1-3-9-15(13)25-21)23-17-11-5-6-12-18(17)24-20-14-8-2-4-10-16(14)26-22(20)28/h1-12H,(H,23,25,27)(H,24,26,28).
What are the key properties of 3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one?
3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one has a molecular weight of 366.38 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one is sourced from PubChem (CID 135406079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).