2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline

C20H11F3N4 — CID 51352245

IUPAC2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESFC(F)(F)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/C20H11F3N4/c21-20(22,23)12-7-5-11(6-8-12)19-26-17-13-3-1-9-24-15(13)16-14(18(17)27-19)4-2-10-25-16/h1-10H,(H,26,27)
InChIKeyRCRGNBYQYKKXMP-UHFFFAOYSA-N
MW364.33 g/mol
LogP5.35
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline

2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 51352245) has the molecular formula C20H11F3N4 and a molecular weight of 364.33 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID51352245
Molecular FormulaC20H11F3N4
Molecular Weight364.33 g/mol
Exact Mass364.09
IUPAC Name2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESFC(F)(F)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/C20H11F3N4/c21-20(22,23)12-7-5-11(6-8-12)19-26-17-13-3-1-9-24-15(13)16-14(18(17)27-19)4-2-10-25-16/h1-10H,(H,26,27)
InChIKeyRCRGNBYQYKKXMP-UHFFFAOYSA-N
XLogP5.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.33
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline (CID 51352245) is 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline is FC(F)(F)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is RCRGNBYQYKKXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N4/c21-20(22,23)12-7-5-11(6-8-12)19-26-17-13-3-1-9-24-15(13)16-14(18(17)27-19)4-2-10-25-16/h1-10H,(H,26,27).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline?
2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 364.33 g/mol, XLogP of 5.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 51352245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).