3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(4-fluorophenyl)pyridine

C22H12F7N3 — CID 71569598

IUPAC3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2ccncc2-n2cncc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H12F7N3/c23-17-3-1-13(2-4-17)18-5-6-30-11-20(18)32-12-31-10-19(32)14-7-15(21(24,25)26)9-16(8-14)22(27,28)29/h1-12H
InChIKeyRJOKBWLJZSVHKU-UHFFFAOYSA-N
MW451.35 g/mol
LogP6.78
Rot. Bonds3

About 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(4-fluorophenyl)pyridine

3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(4-fluorophenyl)pyridine (PubChem CID 71569598) has the molecular formula C22H12F7N3 and a molecular weight of 451.35 g/mol. Its IUPAC name is 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(4-fluorophenyl)pyridine
PubChem CID71569598
Molecular FormulaC22H12F7N3
Molecular Weight451.35 g/mol
Exact Mass451.09
IUPAC Name3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2ccncc2-n2cncc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H12F7N3/c23-17-3-1-13(2-4-17)18-5-6-30-11-20(18)32-12-31-10-19(32)14-7-15(21(24,25)26)9-16(8-14)22(27,28)29/h1-12H
InChIKeyRJOKBWLJZSVHKU-UHFFFAOYSA-N
XLogP6.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.35
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(4-fluorophenyl)pyridine?
The IUPAC name of 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(4-fluorophenyl)pyridine (CID 71569598) is 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(4-fluorophenyl)pyridine.
What is the SMILES notation for 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(4-fluorophenyl)pyridine?
The canonical SMILES for 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(4-fluorophenyl)pyridine is Fc1ccc(-c2ccncc2-n2cncc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(4-fluorophenyl)pyridine?
The InChIKey is RJOKBWLJZSVHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F7N3/c23-17-3-1-13(2-4-17)18-5-6-30-11-20(18)32-12-31-10-19(32)14-7-15(21(24,25)26)9-16(8-14)22(27,28)29/h1-12H.
What are the key properties of 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(4-fluorophenyl)pyridine?
3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(4-fluorophenyl)pyridine has a molecular weight of 451.35 g/mol, XLogP of 6.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(4-fluorophenyl)pyridine is sourced from PubChem (CID 71569598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).