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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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).