1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine

C18H14FN5 — CID 3646728

IUPAC1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESFc1ccccc1Cn1cc(C=Nn2cnnc2)c2ccccc21
InChIInChI=1S/C18H14FN5/c19-17-7-3-1-5-14(17)10-23-11-15(9-22-24-12-20-21-13-24)16-6-2-4-8-18(16)23/h1-9,11-13H,10H2
InChIKeyHNWXMZFLAOSDSE-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.30
Rot. Bonds4

About 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine

1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 3646728) has the molecular formula C18H14FN5 and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID3646728
Molecular FormulaC18H14FN5
Molecular Weight319.34 g/mol
Exact Mass319.12
IUPAC Name1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESFc1ccccc1Cn1cc(C=Nn2cnnc2)c2ccccc21
InChIInChI=1S/C18H14FN5/c19-17-7-3-1-5-14(17)10-23-11-15(9-22-24-12-20-21-13-24)16-6-2-4-8-18(16)23/h1-9,11-13H,10H2
InChIKeyHNWXMZFLAOSDSE-UHFFFAOYSA-N
XLogP3.30
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-2-tert-butyl-3-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one
CID 126287010
1-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-prop-2-enylthiourea
CID 3747167
(5E)-3-[(2-fluorophenyl)methyl]-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 1306478
5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 73473983
N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3389420
(2S)-2-cyano-N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-phenylacetamide
CID 126206363
(4E)-4-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 50872754
5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde
CID 2060019
1-benzyl-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 4561290
(5E)-5-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 44713929
4-chloro-N-[1-[2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4561907
1-[(4-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde
CID 114851412

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine (CID 3646728) is 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine is Fc1ccccc1Cn1cc(C=Nn2cnnc2)c2ccccc21.
What is the InChIKey of 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is HNWXMZFLAOSDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5/c19-17-7-3-1-5-14(17)10-23-11-15(9-22-24-12-20-21-13-24)16-6-2-4-8-18(16)23/h1-9,11-13H,10H2.
What are the key properties of 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine?
1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 319.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 3646728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).