5-hydroxy-1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one

C21H13F3N2O2 — CID 10385218

IUPAC5-hydroxy-1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
SMILESO=C1/C(=N\c2cccc(C(F)(F)F)c2)c2cc(O)ccc2N1c1ccccc1
InChIInChI=1S/C21H13F3N2O2/c22-21(23,24)13-5-4-6-14(11-13)25-19-17-12-16(27)9-10-18(17)26(20(19)28)15-7-2-1-3-8-15/h1-12,27H/b25-19-
InChIKeyBNOFOFPRJCICTB-PLRJNAJWSA-N
MW382.34 g/mol
LogP5.21
Rot. Bonds2

About 5-hydroxy-1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one

5-hydroxy-1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one (PubChem CID 10385218) has the molecular formula C21H13F3N2O2 and a molecular weight of 382.34 g/mol. Its IUPAC name is 5-hydroxy-1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one.

Molecular Properties

Compound Name5-hydroxy-1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
PubChem CID10385218
Molecular FormulaC21H13F3N2O2
Molecular Weight382.34 g/mol
Exact Mass382.09
IUPAC Name5-hydroxy-1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
SMILESO=C1/C(=N\c2cccc(C(F)(F)F)c2)c2cc(O)ccc2N1c1ccccc1
InChIInChI=1S/C21H13F3N2O2/c22-21(23,24)13-5-4-6-14(11-13)25-19-17-12-16(27)9-10-18(17)26(20(19)28)15-7-2-1-3-8-15/h1-12,27H/b25-19-
InChIKeyBNOFOFPRJCICTB-PLRJNAJWSA-N
XLogP5.21
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.34
LogP ≤ 55.21
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 5-hydroxy-1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
The IUPAC name of 5-hydroxy-1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one (CID 10385218) is 5-hydroxy-1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one.
What is the SMILES notation for 5-hydroxy-1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
The canonical SMILES for 5-hydroxy-1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one is O=C1/C(=N\c2cccc(C(F)(F)F)c2)c2cc(O)ccc2N1c1ccccc1.
What is the InChIKey of 5-hydroxy-1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
The InChIKey is BNOFOFPRJCICTB-PLRJNAJWSA-N. The full InChI is InChI=1S/C21H13F3N2O2/c22-21(23,24)13-5-4-6-14(11-13)25-19-17-12-16(27)9-10-18(17)26(20(19)28)15-7-2-1-3-8-15/h1-12,27H/b25-19-.
What are the key properties of 5-hydroxy-1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
5-hydroxy-1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one has a molecular weight of 382.34 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one is sourced from PubChem (CID 10385218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).