3-[5-[2,4-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methoxyphenyl)pyridine

C23H15F6N3O — CID 71569432

IUPAC3-[5-[2,4-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methoxyphenyl)pyridine
SMILESCOc1ccccc1-c1ccncc1-n1cncc1-c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C23H15F6N3O/c1-33-21-5-3-2-4-16(21)15-8-9-30-11-19(15)32-13-31-12-20(32)17-7-6-14(22(24,25)26)10-18(17)23(27,28)29/h2-13H,1H3
InChIKeyWXCHKMIZZCXASD-UHFFFAOYSA-N
MW463.38 g/mol
LogP6.65
Rot. Bonds4

About 3-[5-[2,4-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methoxyphenyl)pyridine

3-[5-[2,4-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methoxyphenyl)pyridine (PubChem CID 71569432) has the molecular formula C23H15F6N3O and a molecular weight of 463.38 g/mol. Its IUPAC name is 3-[5-[2,4-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methoxyphenyl)pyridine.

Molecular Properties

Compound Name3-[5-[2,4-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methoxyphenyl)pyridine
PubChem CID71569432
Molecular FormulaC23H15F6N3O
Molecular Weight463.38 g/mol
Exact Mass463.11
IUPAC Name3-[5-[2,4-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methoxyphenyl)pyridine
SMILESCOc1ccccc1-c1ccncc1-n1cncc1-c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C23H15F6N3O/c1-33-21-5-3-2-4-16(21)15-8-9-30-11-19(15)32-13-31-12-20(32)17-7-6-14(22(24,25)26)10-18(17)23(27,28)29/h2-13H,1H3
InChIKeyWXCHKMIZZCXASD-UHFFFAOYSA-N
XLogP6.65
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.38
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[5-[2,4-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methoxyphenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2,4-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methoxyphenyl)pyridine?
The IUPAC name of 3-[5-[2,4-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methoxyphenyl)pyridine (CID 71569432) is 3-[5-[2,4-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methoxyphenyl)pyridine.
What is the SMILES notation for 3-[5-[2,4-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methoxyphenyl)pyridine?
The canonical SMILES for 3-[5-[2,4-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methoxyphenyl)pyridine is COc1ccccc1-c1ccncc1-n1cncc1-c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 3-[5-[2,4-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methoxyphenyl)pyridine?
The InChIKey is WXCHKMIZZCXASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F6N3O/c1-33-21-5-3-2-4-16(21)15-8-9-30-11-19(15)32-13-31-12-20(32)17-7-6-14(22(24,25)26)10-18(17)23(27,28)29/h2-13H,1H3.
What are the key properties of 3-[5-[2,4-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methoxyphenyl)pyridine?
3-[5-[2,4-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methoxyphenyl)pyridine has a molecular weight of 463.38 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2,4-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methoxyphenyl)pyridine is sourced from PubChem (CID 71569432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).