4,5-bis(4-fluorophenyl)-1-(oxan-2-yl)imidazole

C20H18F2N2O — CID 13050566

IUPAC4,5-bis(4-fluorophenyl)-1-(oxan-2-yl)imidazole
SMILESFc1ccc(-c2ncn(C3CCCCO3)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18F2N2O/c21-16-8-4-14(5-9-16)19-20(15-6-10-17(22)11-7-15)24(13-23-19)18-3-1-2-12-25-18/h4-11,13,18H,1-3,12H2
InChIKeyJRKLLMBFTGWAHF-UHFFFAOYSA-N
MW340.37 g/mol
LogP5.19
Rot. Bonds3

About 4,5-bis(4-fluorophenyl)-1-(oxan-2-yl)imidazole

4,5-bis(4-fluorophenyl)-1-(oxan-2-yl)imidazole (PubChem CID 13050566) has the molecular formula C20H18F2N2O and a molecular weight of 340.37 g/mol. Its IUPAC name is 4,5-bis(4-fluorophenyl)-1-(oxan-2-yl)imidazole.

Molecular Properties

Compound Name4,5-bis(4-fluorophenyl)-1-(oxan-2-yl)imidazole
PubChem CID13050566
Molecular FormulaC20H18F2N2O
Molecular Weight340.37 g/mol
Exact Mass340.14
IUPAC Name4,5-bis(4-fluorophenyl)-1-(oxan-2-yl)imidazole
SMILESFc1ccc(-c2ncn(C3CCCCO3)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18F2N2O/c21-16-8-4-14(5-9-16)19-20(15-6-10-17(22)11-7-15)24(13-23-19)18-3-1-2-12-25-18/h4-11,13,18H,1-3,12H2
InChIKeyJRKLLMBFTGWAHF-UHFFFAOYSA-N
XLogP5.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.37
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

SB-210313
CID 9885504
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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-fluorophenyl)-1-(oxan-2-yl)imidazole?
The IUPAC name of 4,5-bis(4-fluorophenyl)-1-(oxan-2-yl)imidazole (CID 13050566) is 4,5-bis(4-fluorophenyl)-1-(oxan-2-yl)imidazole.
What is the SMILES notation for 4,5-bis(4-fluorophenyl)-1-(oxan-2-yl)imidazole?
The canonical SMILES for 4,5-bis(4-fluorophenyl)-1-(oxan-2-yl)imidazole is Fc1ccc(-c2ncn(C3CCCCO3)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4,5-bis(4-fluorophenyl)-1-(oxan-2-yl)imidazole?
The InChIKey is JRKLLMBFTGWAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O/c21-16-8-4-14(5-9-16)19-20(15-6-10-17(22)11-7-15)24(13-23-19)18-3-1-2-12-25-18/h4-11,13,18H,1-3,12H2.
What are the key properties of 4,5-bis(4-fluorophenyl)-1-(oxan-2-yl)imidazole?
4,5-bis(4-fluorophenyl)-1-(oxan-2-yl)imidazole has a molecular weight of 340.37 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-fluorophenyl)-1-(oxan-2-yl)imidazole is sourced from PubChem (CID 13050566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).