2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline

C19H10F2N4 — CID 102048569

IUPAC2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESFc1cc(F)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
InChIInChI=1S/C19H10F2N4/c20-11-7-10(8-12(21)9-11)19-24-17-13-3-1-5-22-15(13)16-14(18(17)25-19)4-2-6-23-16/h1-9H,(H,24,25)
InChIKeyIMOZLWDLSCXYLR-UHFFFAOYSA-N
MW332.31 g/mol
LogP4.60
Rot. Bonds1

About 2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline

2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 102048569) has the molecular formula C19H10F2N4 and a molecular weight of 332.31 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID102048569
Molecular FormulaC19H10F2N4
Molecular Weight332.31 g/mol
Exact Mass332.09
IUPAC Name2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESFc1cc(F)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
InChIInChI=1S/C19H10F2N4/c20-11-7-10(8-12(21)9-11)19-24-17-13-3-1-5-22-15(13)16-14(18(17)25-19)4-2-6-23-16/h1-9H,(H,24,25)
InChIKeyIMOZLWDLSCXYLR-UHFFFAOYSA-N
XLogP4.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 54.60
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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Related Compounds

2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 15376894
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2,6-dimethoxyphenol
CID 136776464
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzonitrile
CID 46865047
2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 141245187
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid
CID 46865048
bis(europium(3+));bis(2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline);hexaacetate
CID 139203985
2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
CID 699593
2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]-N,N-dimethylethanamine
CID 71533939
2-(2-ethynylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 166691371
methyl 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoate
CID 102508548
2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline;bis(N-pyridin-2-ylpyridin-2-amine);ruthenium(2+);diperchlorate
CID 72734576
2-cyclopenta-1,3-dien-1-yl-1H-imidazo[4,5-f][1,10]phenanthroline
CID 101473917

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 102048569) is 2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline is Fc1cc(F)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is IMOZLWDLSCXYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F2N4/c20-11-7-10(8-12(21)9-11)19-24-17-13-3-1-5-22-15(13)16-14(18(17)25-19)4-2-6-23-16/h1-9H,(H,24,25).
What are the key properties of 2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 332.31 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 102048569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).