7-methyl-3-(4-phenoxyphenyl)imino-1H-indol-2-one

C21H16N2O2 — CID 135559403

IUPAC7-methyl-3-(4-phenoxyphenyl)imino-1H-indol-2-one
SMILESCc1cccc2c1NC(=O)/C2=N\c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H16N2O2/c1-14-6-5-9-18-19(14)23-21(24)20(18)22-15-10-12-17(13-11-15)25-16-7-3-2-4-8-16/h2-13H,1H3,(H,22,23,24)
InChIKeyWHEHAVFFMJTBTB-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.86
Rot. Bonds3

About 7-methyl-3-(4-phenoxyphenyl)imino-1H-indol-2-one

7-methyl-3-(4-phenoxyphenyl)imino-1H-indol-2-one (PubChem CID 135559403) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 7-methyl-3-(4-phenoxyphenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name7-methyl-3-(4-phenoxyphenyl)imino-1H-indol-2-one
PubChem CID135559403
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name7-methyl-3-(4-phenoxyphenyl)imino-1H-indol-2-one
SMILESCc1cccc2c1NC(=O)/C2=N\c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H16N2O2/c1-14-6-5-9-18-19(14)23-21(24)20(18)22-15-10-12-17(13-11-15)25-16-7-3-2-4-8-16/h2-13H,1H3,(H,22,23,24)
InChIKeyWHEHAVFFMJTBTB-UHFFFAOYSA-N
XLogP4.86
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.86
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 7-methyl-3-(4-phenoxyphenyl)imino-1H-indol-2-one?
The IUPAC name of 7-methyl-3-(4-phenoxyphenyl)imino-1H-indol-2-one (CID 135559403) is 7-methyl-3-(4-phenoxyphenyl)imino-1H-indol-2-one.
What is the SMILES notation for 7-methyl-3-(4-phenoxyphenyl)imino-1H-indol-2-one?
The canonical SMILES for 7-methyl-3-(4-phenoxyphenyl)imino-1H-indol-2-one is Cc1cccc2c1NC(=O)/C2=N\c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 7-methyl-3-(4-phenoxyphenyl)imino-1H-indol-2-one?
The InChIKey is WHEHAVFFMJTBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-14-6-5-9-18-19(14)23-21(24)20(18)22-15-10-12-17(13-11-15)25-16-7-3-2-4-8-16/h2-13H,1H3,(H,22,23,24).
What are the key properties of 7-methyl-3-(4-phenoxyphenyl)imino-1H-indol-2-one?
7-methyl-3-(4-phenoxyphenyl)imino-1H-indol-2-one has a molecular weight of 328.37 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(4-phenoxyphenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135559403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).