1-[4-(furan-2-yl)phenyl]-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]ethanimine

C23H19F3N2O — CID 123564490

IUPAC1-[4-(furan-2-yl)phenyl]-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]ethanimine
SMILESC/C(=N\CCc1c[nH]c2ccc(C(F)(F)F)cc12)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C23H19F3N2O/c1-15(16-4-6-17(7-5-16)22-3-2-12-29-22)27-11-10-18-14-28-21-9-8-19(13-20(18)21)23(24,25)26/h2-9,12-14,28H,10-11H2,1H3/b27-15+
InChIKeyKEIZHLBWYQTGIF-JFLMPSFJSA-N
MW396.41 g/mol
LogP6.50
Rot. Bonds5

About 1-[4-(furan-2-yl)phenyl]-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]ethanimine

1-[4-(furan-2-yl)phenyl]-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]ethanimine (PubChem CID 123564490) has the molecular formula C23H19F3N2O and a molecular weight of 396.41 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)phenyl]-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]ethanimine.

Molecular Properties

Compound Name1-[4-(furan-2-yl)phenyl]-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]ethanimine
PubChem CID123564490
Molecular FormulaC23H19F3N2O
Molecular Weight396.41 g/mol
Exact Mass396.14
IUPAC Name1-[4-(furan-2-yl)phenyl]-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]ethanimine
SMILESC/C(=N\CCc1c[nH]c2ccc(C(F)(F)F)cc12)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C23H19F3N2O/c1-15(16-4-6-17(7-5-16)22-3-2-12-29-22)27-11-10-18-14-28-21-9-8-19(13-20(18)21)23(24,25)26/h2-9,12-14,28H,10-11H2,1H3/b27-15+
InChIKeyKEIZHLBWYQTGIF-JFLMPSFJSA-N
XLogP6.50
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.41
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
CID 9866050
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3,3-difluoro-2,3-dihydro-1H-indol-2-one
CID 23647555
3-(furan-3-yl)-1H-indole
CID 10607518
(3Z)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-3-(furan-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 11751896
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-[(5-methylfuran-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 23647568
6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-(furan-3-yl)-1H-indole
CID 10542381
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-[(4,5-dimethylfuran-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 23647569
(3E)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-3-(furan-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 25023776
N'-[1-(2-furyl)ethylidene]-1H-indole-3-carbohydrazide
CID 5340769
(S)-2-[(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]-3-(4-furan-2-yl-phenyl)-propionylamino]-3-(1H-indol-3-yl)-propionic acid
CID 44311699
2-(2,5-dimethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethan-1-amine hydrochloride
CID 2770996
(E)-3-(5-methoxy-1H-indol-3-yl)-1-phenylprop-2-en-1-one
CID 5917598

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)phenyl]-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]ethanimine?
The IUPAC name of 1-[4-(furan-2-yl)phenyl]-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]ethanimine (CID 123564490) is 1-[4-(furan-2-yl)phenyl]-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]ethanimine.
What is the SMILES notation for 1-[4-(furan-2-yl)phenyl]-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]ethanimine?
The canonical SMILES for 1-[4-(furan-2-yl)phenyl]-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]ethanimine is C/C(=N\CCc1c[nH]c2ccc(C(F)(F)F)cc12)c1ccc(-c2ccco2)cc1.
What is the InChIKey of 1-[4-(furan-2-yl)phenyl]-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]ethanimine?
The InChIKey is KEIZHLBWYQTGIF-JFLMPSFJSA-N. The full InChI is InChI=1S/C23H19F3N2O/c1-15(16-4-6-17(7-5-16)22-3-2-12-29-22)27-11-10-18-14-28-21-9-8-19(13-20(18)21)23(24,25)26/h2-9,12-14,28H,10-11H2,1H3/b27-15+.
What are the key properties of 1-[4-(furan-2-yl)phenyl]-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]ethanimine?
1-[4-(furan-2-yl)phenyl]-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]ethanimine has a molecular weight of 396.41 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)phenyl]-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]ethanimine is sourced from PubChem (CID 123564490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).