1-(1-benzylindol-3-yl)-N-(4-fluorophenyl)methanimine

C22H17FN2 — CID 57345509

IUPAC1-(1-benzylindol-3-yl)-N-(4-fluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H17FN2/c23-19-10-12-20(13-11-19)24-14-18-16-25(15-17-6-2-1-3-7-17)22-9-5-4-8-21(18)22/h1-14,16H,15H2/b24-14+
InChIKeyXGUIKMHWDMASHL-ZVHZXABRSA-N
MW328.39 g/mol
LogP5.58
Rot. Bonds4

About 1-(1-benzylindol-3-yl)-N-(4-fluorophenyl)methanimine

1-(1-benzylindol-3-yl)-N-(4-fluorophenyl)methanimine (PubChem CID 57345509) has the molecular formula C22H17FN2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-(1-benzylindol-3-yl)-N-(4-fluorophenyl)methanimine.

Molecular Properties

Compound Name1-(1-benzylindol-3-yl)-N-(4-fluorophenyl)methanimine
PubChem CID57345509
Molecular FormulaC22H17FN2
Molecular Weight328.39 g/mol
Exact Mass328.14
IUPAC Name1-(1-benzylindol-3-yl)-N-(4-fluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H17FN2/c23-19-10-12-20(13-11-19)24-14-18-16-25(15-17-6-2-1-3-7-17)22-9-5-4-8-21(18)22/h1-14,16H,15H2/b24-14+
InChIKeyXGUIKMHWDMASHL-ZVHZXABRSA-N
XLogP5.58
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.39
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Latrepirdine
CID 197033
Iprindole
CID 21722
N,N-Diethyltryptamine
CID 6090
Serdemetan
CID 11609586

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylindol-3-yl)-N-(4-fluorophenyl)methanimine?
The IUPAC name of 1-(1-benzylindol-3-yl)-N-(4-fluorophenyl)methanimine (CID 57345509) is 1-(1-benzylindol-3-yl)-N-(4-fluorophenyl)methanimine.
What is the SMILES notation for 1-(1-benzylindol-3-yl)-N-(4-fluorophenyl)methanimine?
The canonical SMILES for 1-(1-benzylindol-3-yl)-N-(4-fluorophenyl)methanimine is Fc1ccc(/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-(1-benzylindol-3-yl)-N-(4-fluorophenyl)methanimine?
The InChIKey is XGUIKMHWDMASHL-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H17FN2/c23-19-10-12-20(13-11-19)24-14-18-16-25(15-17-6-2-1-3-7-17)22-9-5-4-8-21(18)22/h1-14,16H,15H2/b24-14+.
What are the key properties of 1-(1-benzylindol-3-yl)-N-(4-fluorophenyl)methanimine?
1-(1-benzylindol-3-yl)-N-(4-fluorophenyl)methanimine has a molecular weight of 328.39 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylindol-3-yl)-N-(4-fluorophenyl)methanimine is sourced from PubChem (CID 57345509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).