1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one

C21H14F3N3O — CID 10452413

IUPAC1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
SMILESO=C1/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc2N1Cc1ccccn1
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)14-6-5-8-15(12-14)26-19-17-9-1-2-10-18(17)27(20(19)28)13-16-7-3-4-11-25-16/h1-12H,13H2/b26-19-
InChIKeyFQZVVZWPFALABJ-XHPQRKPJSA-N
MW381.36 g/mol
LogP4.77
Rot. Bonds3

About 1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one

1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one (PubChem CID 10452413) has the molecular formula C21H14F3N3O and a molecular weight of 381.36 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
PubChem CID10452413
Molecular FormulaC21H14F3N3O
Molecular Weight381.36 g/mol
Exact Mass381.11
IUPAC Name1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
SMILESO=C1/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc2N1Cc1ccccn1
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)14-6-5-8-15(12-14)26-19-17-9-1-2-10-18(17)27(20(19)28)13-16-7-3-4-11-25-16/h1-12H,13H2/b26-19-
InChIKeyFQZVVZWPFALABJ-XHPQRKPJSA-N
XLogP4.77
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 54.77
H-Bond Donors ≤ 50
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 1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
The IUPAC name of 1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one (CID 10452413) is 1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
The canonical SMILES for 1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one is O=C1/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc2N1Cc1ccccn1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
The InChIKey is FQZVVZWPFALABJ-XHPQRKPJSA-N. The full InChI is InChI=1S/C21H14F3N3O/c22-21(23,24)14-6-5-8-15(12-14)26-19-17-9-1-2-10-18(17)27(20(19)28)13-16-7-3-4-11-25-16/h1-12H,13H2/b26-19-.
What are the key properties of 1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one has a molecular weight of 381.36 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one is sourced from PubChem (CID 10452413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).