2-(2-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole

C23H19FN2O2 — CID 13298988

IUPAC2-(2-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccccc3F)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H19FN2O2/c1-27-17-11-7-15(8-12-17)21-22(16-9-13-18(28-2)14-10-16)26-23(25-21)19-5-3-4-6-20(19)24/h3-14H,1-2H3,(H,25,26)
InChIKeyAKARFRNWWPMAEC-UHFFFAOYSA-N
MW374.42 g/mol
LogP5.57
Rot. Bonds5

About 2-(2-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole

2-(2-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole (PubChem CID 13298988) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
PubChem CID13298988
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name2-(2-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccccc3F)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H19FN2O2/c1-27-17-11-7-15(8-12-17)21-22(16-9-13-18(28-2)14-10-16)26-23(25-21)19-5-3-4-6-20(19)24/h3-14H,1-2H3,(H,25,26)
InChIKeyAKARFRNWWPMAEC-UHFFFAOYSA-N
XLogP5.57
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole?
The IUPAC name of 2-(2-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole (CID 13298988) is 2-(2-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole.
What is the SMILES notation for 2-(2-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole?
The canonical SMILES for 2-(2-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole is COc1ccc(-c2nc(-c3ccccc3F)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole?
The InChIKey is AKARFRNWWPMAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-27-17-11-7-15(8-12-17)21-22(16-9-13-18(28-2)14-10-16)26-23(25-21)19-5-3-4-6-20(19)24/h3-14H,1-2H3,(H,25,26).
What are the key properties of 2-(2-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole?
2-(2-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole has a molecular weight of 374.42 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole is sourced from PubChem (CID 13298988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).