5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one

C22H18N2O2 — CID 135559351

IUPAC5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one
SMILESCc1ccc(Oc2ccc(/N=C3\C(=O)Nc4ccc(C)cc43)cc2)cc1
InChIInChI=1S/C22H18N2O2/c1-14-3-8-17(9-4-14)26-18-10-6-16(7-11-18)23-21-19-13-15(2)5-12-20(19)24-22(21)25/h3-13H,1-2H3,(H,23,24,25)
InChIKeyPNIPACSEJOGGSP-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.17
Rot. Bonds3

About 5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one

5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one (PubChem CID 135559351) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one.

Molecular Properties

Compound Name5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one
PubChem CID135559351
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one
SMILESCc1ccc(Oc2ccc(/N=C3\C(=O)Nc4ccc(C)cc43)cc2)cc1
InChIInChI=1S/C22H18N2O2/c1-14-3-8-17(9-4-14)26-18-10-6-16(7-11-18)23-21-19-13-15(2)5-12-20(19)24-22(21)25/h3-13H,1-2H3,(H,23,24,25)
InChIKeyPNIPACSEJOGGSP-UHFFFAOYSA-N
XLogP5.17
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propyl 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate
CID 135559348
5-bromo-3-(4-methoxyphenyl)imino-1H-indol-2-one
CID 135400370
5-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-1H-indol-2-one
CID 135559269
5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135460924
3-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
CID 137028519
3-(2,6-diethylphenyl)imino-5-methyl-1H-indol-2-one
CID 135559376
4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide
CID 135559242
2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
CID 135497959
3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]imino-1H-indol-2-one
CID 135423248
7-methyl-3-(4-phenoxyphenyl)imino-1H-indol-2-one
CID 135559403
3-(3-chloro-2-methylphenyl)imino-5-methyl-1H-indol-2-one
CID 135559374
4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
CID 137226402

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one?
The IUPAC name of 5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one (CID 135559351) is 5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one.
What is the SMILES notation for 5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one?
The canonical SMILES for 5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one is Cc1ccc(Oc2ccc(/N=C3\C(=O)Nc4ccc(C)cc43)cc2)cc1.
What is the InChIKey of 5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one?
The InChIKey is PNIPACSEJOGGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-14-3-8-17(9-4-14)26-18-10-6-16(7-11-18)23-21-19-13-15(2)5-12-20(19)24-22(21)25/h3-13H,1-2H3,(H,23,24,25).
What are the key properties of 5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one?
5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one has a molecular weight of 342.40 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one is sourced from PubChem (CID 135559351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).