1-[4-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole

C23H13F7N2 — CID 141164466

IUPAC1-[4-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole
SMILESFc1ccc(C(F)(F)F)cc1-c1ccc(-n2ccnc2-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C23H13F7N2/c24-20-10-7-15(22(25,26)27)13-18(20)14-5-8-16(9-6-14)32-12-11-31-21(32)17-3-1-2-4-19(17)23(28,29)30/h1-13H
InChIKeyBDDSOMWMRPPYRS-UHFFFAOYSA-N
MW450.36 g/mol
LogP7.38
Rot. Bonds3

About 1-[4-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole

1-[4-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole (PubChem CID 141164466) has the molecular formula C23H13F7N2 and a molecular weight of 450.36 g/mol. Its IUPAC name is 1-[4-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name1-[4-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole
PubChem CID141164466
Molecular FormulaC23H13F7N2
Molecular Weight450.36 g/mol
Exact Mass450.10
IUPAC Name1-[4-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole
SMILESFc1ccc(C(F)(F)F)cc1-c1ccc(-n2ccnc2-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C23H13F7N2/c24-20-10-7-15(22(25,26)27)13-18(20)14-5-8-16(9-6-14)32-12-11-31-21(32)17-3-1-2-4-19(17)23(28,29)30/h1-13H
InChIKeyBDDSOMWMRPPYRS-UHFFFAOYSA-N
XLogP7.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.36
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 1-[4-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole (CID 141164466) is 1-[4-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 1-[4-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 1-[4-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole is Fc1ccc(C(F)(F)F)cc1-c1ccc(-n2ccnc2-c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 1-[4-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole?
The InChIKey is BDDSOMWMRPPYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F7N2/c24-20-10-7-15(22(25,26)27)13-18(20)14-5-8-16(9-6-14)32-12-11-31-21(32)17-3-1-2-4-19(17)23(28,29)30/h1-13H.
What are the key properties of 1-[4-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole?
1-[4-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole has a molecular weight of 450.36 g/mol, XLogP of 7.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 141164466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).