2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole

C21H12ClFN2 — CID 24860777

IUPAC2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
SMILESFc1cccc(Cl)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1
InChIInChI=1S/C21H12ClFN2/c22-16-10-5-11-17(23)18(16)21-24-19-14-8-3-1-6-12(14)13-7-2-4-9-15(13)20(19)25-21/h1-11H,(H,24,25)
InChIKeyWVNNQKBSDUJVPA-UHFFFAOYSA-N
MW346.79 g/mol
LogP6.33
Rot. Bonds1

About 2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole

2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole (PubChem CID 24860777) has the molecular formula C21H12ClFN2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
PubChem CID24860777
Molecular FormulaC21H12ClFN2
Molecular Weight346.79 g/mol
Exact Mass346.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
SMILESFc1cccc(Cl)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1
InChIInChI=1S/C21H12ClFN2/c22-16-10-5-11-17(23)18(16)21-24-19-14-8-3-1-6-12(14)13-7-2-4-9-15(13)20(19)25-21/h1-11H,(H,24,25)
InChIKeyWVNNQKBSDUJVPA-UHFFFAOYSA-N
XLogP6.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.79
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole 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 2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole (CID 24860777) is 2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole is Fc1cccc(Cl)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole?
The InChIKey is WVNNQKBSDUJVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClFN2/c22-16-10-5-11-17(23)18(16)21-24-19-14-8-3-1-6-12(14)13-7-2-4-9-15(13)20(19)25-21/h1-11H,(H,24,25).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole?
2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole has a molecular weight of 346.79 g/mol, XLogP of 6.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 24860777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).