N-(2-fluorophenyl)-1H-benzo[cd]indol-2-imine

C17H11FN2 — CID 135519864

IUPACN-(2-fluorophenyl)-1H-benzo[cd]indol-2-imine
SMILESFc1ccccc1/N=C1\Nc2cccc3cccc1c23
InChIInChI=1S/C17H11FN2/c18-13-8-1-2-9-14(13)19-17-12-7-3-5-11-6-4-10-15(20-17)16(11)12/h1-10H,(H,19,20)
InChIKeyQHOKIQUEWWUTJS-UHFFFAOYSA-N
MW262.29 g/mol
LogP4.48
Rot. Bonds1

About N-(2-fluorophenyl)-1H-benzo[cd]indol-2-imine

N-(2-fluorophenyl)-1H-benzo[cd]indol-2-imine (PubChem CID 135519864) has the molecular formula C17H11FN2 and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1H-benzo[cd]indol-2-imine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1H-benzo[cd]indol-2-imine
PubChem CID135519864
Molecular FormulaC17H11FN2
Molecular Weight262.29 g/mol
Exact Mass262.09
IUPAC NameN-(2-fluorophenyl)-1H-benzo[cd]indol-2-imine
SMILESFc1ccccc1/N=C1\Nc2cccc3cccc1c23
InChIInChI=1S/C17H11FN2/c18-13-8-1-2-9-14(13)19-17-12-7-3-5-11-6-4-10-15(20-17)16(11)12/h1-10H,(H,19,20)
InChIKeyQHOKIQUEWWUTJS-UHFFFAOYSA-N
XLogP4.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-fluorophenyl)-1H-benzo[cd]indol-2-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1H-benzo[cd]indol-2-imine?
The IUPAC name of N-(2-fluorophenyl)-1H-benzo[cd]indol-2-imine (CID 135519864) is N-(2-fluorophenyl)-1H-benzo[cd]indol-2-imine.
What is the SMILES notation for N-(2-fluorophenyl)-1H-benzo[cd]indol-2-imine?
The canonical SMILES for N-(2-fluorophenyl)-1H-benzo[cd]indol-2-imine is Fc1ccccc1/N=C1\Nc2cccc3cccc1c23.
What is the InChIKey of N-(2-fluorophenyl)-1H-benzo[cd]indol-2-imine?
The InChIKey is QHOKIQUEWWUTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2/c18-13-8-1-2-9-14(13)19-17-12-7-3-5-11-6-4-10-15(20-17)16(11)12/h1-10H,(H,19,20).
What are the key properties of N-(2-fluorophenyl)-1H-benzo[cd]indol-2-imine?
N-(2-fluorophenyl)-1H-benzo[cd]indol-2-imine has a molecular weight of 262.29 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1H-benzo[cd]indol-2-imine is sourced from PubChem (CID 135519864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).