3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]imino-1H-indol-2-one

C25H24N2O2 — CID 135423248

IUPAC3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]imino-1H-indol-2-one
SMILESCCC(C)(C)c1ccc(Oc2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1
InChIInChI=1S/C25H24N2O2/c1-4-25(2,3)17-9-13-19(14-10-17)29-20-15-11-18(12-16-20)26-23-21-7-5-6-8-22(21)27-24(23)28/h5-16H,4H2,1-3H3,(H,26,27,28)
InChIKeyUGINHYISSNZEJR-UHFFFAOYSA-N
MW384.48 g/mol
LogP6.24
Rot. Bonds5

About 3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]imino-1H-indol-2-one

3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]imino-1H-indol-2-one (PubChem CID 135423248) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]imino-1H-indol-2-one.

Molecular Properties

Compound Name3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]imino-1H-indol-2-one
PubChem CID135423248
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]imino-1H-indol-2-one
SMILESCCC(C)(C)c1ccc(Oc2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1
InChIInChI=1S/C25H24N2O2/c1-4-25(2,3)17-9-13-19(14-10-17)29-20-15-11-18(12-16-20)26-23-21-7-5-6-8-22(21)27-24(23)28/h5-16H,4H2,1-3H3,(H,26,27,28)
InChIKeyUGINHYISSNZEJR-UHFFFAOYSA-N
XLogP6.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 56.24
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

Oxyphenisatin Acetate
CID 8269
1-Acetyl-3,3-bis(4-(acetyloxy)phenyl)-1,3-dihydro-2H-indol-2-one
CID 29321
(3E)-3-[(4-Methoxyphenyl)imino]-1,3-dihydro-2H-indol-2-one
CID 135406018
1-(4-(3-(Diethylamino)propoxy)phenyl)-3-(3-(trifluoromethyl)phenylimino)indolin-2-one
CID 11540517
3,3-Bis-(4-hydroxy-phenyl)-5-methoxy-1,3-dihydro-indol-2-one
CID 12218509
1-(4-(4-(Diethylamino)butoxy)phenyl)-3-(3-(trifluoromethyl)phenylimino)indolin-2-one
CID 44414180
3-methyl-3-[4-[4-(4-methylphenoxy)piperidin-1-yl]butyl]-1H-indol-2-one;hydrochloride
CID 44535253
3-(4-ethoxyphenyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
CID 49782149
6,7-difluoro-3-(4-hydroxyphenyl)-3-(4-propoxyphenyl)-1H-indol-2-one
CID 49782150
N-(4-methoxyphenyl)-2-[2-oxo-3-(phenylimino)indolin-1-yl]acetamide
CID 129843351
3-[(E)-4-Methoxy-phenylimino]-7-methyl-1,3-dihydro-indol-2-one
CID 135449508
(3E)-3-(diphenylhydrazinylidene)-5-methoxy-1H-indol-2-one
CID 145964556

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]imino-1H-indol-2-one?
The IUPAC name of 3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]imino-1H-indol-2-one (CID 135423248) is 3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]imino-1H-indol-2-one.
What is the SMILES notation for 3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]imino-1H-indol-2-one?
The canonical SMILES for 3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]imino-1H-indol-2-one is CCC(C)(C)c1ccc(Oc2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1.
What is the InChIKey of 3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]imino-1H-indol-2-one?
The InChIKey is UGINHYISSNZEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-4-25(2,3)17-9-13-19(14-10-17)29-20-15-11-18(12-16-20)26-23-21-7-5-6-8-22(21)27-24(23)28/h5-16H,4H2,1-3H3,(H,26,27,28).
What are the key properties of 3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]imino-1H-indol-2-one?
3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]imino-1H-indol-2-one has a molecular weight of 384.48 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]imino-1H-indol-2-one is sourced from PubChem (CID 135423248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).