1-[[3-(3-fluorophenyl)-2-(4-fluorophenyl)phenyl]methyl]imidazole

C22H16F2N2 — CID 67914401

IUPAC1-[[3-(3-fluorophenyl)-2-(4-fluorophenyl)phenyl]methyl]imidazole
SMILESFc1ccc(-c2c(Cn3ccnc3)cccc2-c2cccc(F)c2)cc1
InChIInChI=1S/C22H16F2N2/c23-19-9-7-16(8-10-19)22-18(14-26-12-11-25-15-26)4-2-6-21(22)17-3-1-5-20(24)13-17/h1-13,15H,14H2
InChIKeyFLBJDYXOTMDRCW-UHFFFAOYSA-N
MW346.38 g/mol
LogP5.54
Rot. Bonds4

About 1-[[3-(3-fluorophenyl)-2-(4-fluorophenyl)phenyl]methyl]imidazole

1-[[3-(3-fluorophenyl)-2-(4-fluorophenyl)phenyl]methyl]imidazole (PubChem CID 67914401) has the molecular formula C22H16F2N2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-[[3-(3-fluorophenyl)-2-(4-fluorophenyl)phenyl]methyl]imidazole.

Molecular Properties

Compound Name1-[[3-(3-fluorophenyl)-2-(4-fluorophenyl)phenyl]methyl]imidazole
PubChem CID67914401
Molecular FormulaC22H16F2N2
Molecular Weight346.38 g/mol
Exact Mass346.13
IUPAC Name1-[[3-(3-fluorophenyl)-2-(4-fluorophenyl)phenyl]methyl]imidazole
SMILESFc1ccc(-c2c(Cn3ccnc3)cccc2-c2cccc(F)c2)cc1
InChIInChI=1S/C22H16F2N2/c23-19-9-7-16(8-10-19)22-18(14-26-12-11-25-15-26)4-2-6-21(22)17-3-1-5-20(24)13-17/h1-13,15H,14H2
InChIKeyFLBJDYXOTMDRCW-UHFFFAOYSA-N
XLogP5.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.38
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-fluorophenyl)-2-(4-fluorophenyl)phenyl]methyl]imidazole?
The IUPAC name of 1-[[3-(3-fluorophenyl)-2-(4-fluorophenyl)phenyl]methyl]imidazole (CID 67914401) is 1-[[3-(3-fluorophenyl)-2-(4-fluorophenyl)phenyl]methyl]imidazole.
What is the SMILES notation for 1-[[3-(3-fluorophenyl)-2-(4-fluorophenyl)phenyl]methyl]imidazole?
The canonical SMILES for 1-[[3-(3-fluorophenyl)-2-(4-fluorophenyl)phenyl]methyl]imidazole is Fc1ccc(-c2c(Cn3ccnc3)cccc2-c2cccc(F)c2)cc1.
What is the InChIKey of 1-[[3-(3-fluorophenyl)-2-(4-fluorophenyl)phenyl]methyl]imidazole?
The InChIKey is FLBJDYXOTMDRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2/c23-19-9-7-16(8-10-19)22-18(14-26-12-11-25-15-26)4-2-6-21(22)17-3-1-5-20(24)13-17/h1-13,15H,14H2.
What are the key properties of 1-[[3-(3-fluorophenyl)-2-(4-fluorophenyl)phenyl]methyl]imidazole?
1-[[3-(3-fluorophenyl)-2-(4-fluorophenyl)phenyl]methyl]imidazole has a molecular weight of 346.38 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-fluorophenyl)-2-(4-fluorophenyl)phenyl]methyl]imidazole is sourced from PubChem (CID 67914401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).