2-(4-fluorophenyl)-3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole

C28H19FN2O — CID 139244552

IUPAC2-(4-fluorophenyl)-3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole
SMILESCOc1ccc(-n2c(-c3ccc(F)cc3)nc3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C28H19FN2O/c1-32-21-16-14-20(15-17-21)31-27-25-9-5-3-7-23(25)22-6-2-4-8-24(22)26(27)30-28(31)18-10-12-19(29)13-11-18/h2-17H,1H3
InChIKeyXAEBHFFJBHUJIE-UHFFFAOYSA-N
MW418.47 g/mol
LogP7.15
Rot. Bonds3

About 2-(4-fluorophenyl)-3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole

2-(4-fluorophenyl)-3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole (PubChem CID 139244552) has the molecular formula C28H19FN2O and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole
PubChem CID139244552
Molecular FormulaC28H19FN2O
Molecular Weight418.47 g/mol
Exact Mass418.15
IUPAC Name2-(4-fluorophenyl)-3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole
SMILESCOc1ccc(-n2c(-c3ccc(F)cc3)nc3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C28H19FN2O/c1-32-21-16-14-20(15-17-21)31-27-25-9-5-3-7-23(25)22-6-2-4-8-24(22)26(27)30-28(31)18-10-12-19(29)13-11-18/h2-17H,1H3
InChIKeyXAEBHFFJBHUJIE-UHFFFAOYSA-N
XLogP7.15
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tomoxiprole
CID 6917745
CID 137628645
CID 137628645
1-(4-methoxyphenyl)-3-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]urea
CID 44525424
1-(4-methoxyphenyl)-3-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]urea
CID 44525425
1-(4-methoxyphenyl)-3-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]urea
CID 44525427
1-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-(4-methoxyphenyl)urea
CID 44525429
1,6-Bis-(2,6-difluoro-benzyl)-2-(2,6-difluoro-phenyl)-5-methoxy-1H-benzoimidazole
CID 404168
1,5-Bis-(2,6-difluoro-benzyl)-2-(2,6-difluoro-phenyl)-6-methoxy-1H-benzoimidazole
CID 404169
3-Tert-butyl-2-(4-methoxyphenyl)-3H-naphtho[1,2-D]imidazole
CID 20468276
3-Ethenyl-2-(4-methoxyphenyl)-3H-naphtho[1,2-D]imidazole
CID 20482661
10-iodo-2-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazole
CID 2254327
2-[2-[2-[4-(1,3-Dimethylphenanthro[9,10-d]imidazol-3-ium-2-yl)phenoxy]ethoxy]ethoxy]ethanol iodide
CID 71451059

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole?
The IUPAC name of 2-(4-fluorophenyl)-3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole (CID 139244552) is 2-(4-fluorophenyl)-3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-(4-fluorophenyl)-3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole is COc1ccc(-n2c(-c3ccc(F)cc3)nc3c4ccccc4c4ccccc4c32)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole?
The InChIKey is XAEBHFFJBHUJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN2O/c1-32-21-16-14-20(15-17-21)31-27-25-9-5-3-7-23(25)22-6-2-4-8-24(22)26(27)30-28(31)18-10-12-19(29)13-11-18/h2-17H,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole?
2-(4-fluorophenyl)-3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole has a molecular weight of 418.47 g/mol, XLogP of 7.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole is sourced from PubChem (CID 139244552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).