1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one

C22H22F3N3O2 — CID 17386938

IUPAC1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
SMILESCC1CN(CN2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)CC(C)O1
InChIInChI=1S/C22H22F3N3O2/c1-14-11-27(12-15(2)30-14)13-28-19-9-4-3-8-18(19)20(21(28)29)26-17-7-5-6-16(10-17)22(23,24)25/h3-10,14-15H,11-13H2,1-2H3/b26-20+
InChIKeyMIMTXQAYZCKLNY-LHLOQNFPSA-N
MW417.43 g/mol
LogP4.24
Rot. Bonds3

About 1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one

1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one (PubChem CID 17386938) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is 1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one.

Molecular Properties

Compound Name1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
PubChem CID17386938
Molecular FormulaC22H22F3N3O2
Molecular Weight417.43 g/mol
Exact Mass417.17
IUPAC Name1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
SMILESCC1CN(CN2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)CC(C)O1
InChIInChI=1S/C22H22F3N3O2/c1-14-11-27(12-15(2)30-14)13-28-19-9-4-3-8-18(19)20(21(28)29)26-17-7-5-6-16(10-17)22(23,24)25/h3-10,14-15H,11-13H2,1-2H3/b26-20+
InChIKeyMIMTXQAYZCKLNY-LHLOQNFPSA-N
XLogP4.24
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 1041520
1-(piperidin-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 3463607
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 10452413
1-[4-hydroxy-3-[(2-methylaziridin-1-yl)methyl]phenyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 87894763
1-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-naphthalen-2-yliminoindol-2-one
CID 7272314
3-(3-chloro-4-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
CID 17385517
3-(3,4-dimethylphenyl)imino-1-[[(3S)-3-methylpiperidin-1-yl]methyl]indol-2-one
CID 100816750
1-[4-hydroxy-3-[(2-methylcyclopropyl)methyl]phenyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 143273663
3-(3-bromophenyl)imino-1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]indol-2-one
CID 1239300
1-[(4-benzylpiperidin-1-yl)methyl]-3-(3-fluorophenyl)iminoindol-2-one
CID 3611317
1-[3-(5-chloro-1-benzothiophen-2-yl)propyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 142862487
1-(3,4-dihydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 135464293

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
The IUPAC name of 1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one (CID 17386938) is 1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one.
What is the SMILES notation for 1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
The canonical SMILES for 1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one is CC1CN(CN2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)CC(C)O1.
What is the InChIKey of 1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
The InChIKey is MIMTXQAYZCKLNY-LHLOQNFPSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c1-14-11-27(12-15(2)30-14)13-28-19-9-4-3-8-18(19)20(21(28)29)26-17-7-5-6-16(10-17)22(23,24)25/h3-10,14-15H,11-13H2,1-2H3/b26-20+.
What are the key properties of 1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one has a molecular weight of 417.43 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one is sourced from PubChem (CID 17386938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).