4-[1-ethyl-5-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine;4-[4-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]pyridine

C50H44F6N6 — CID 87794912

IUPAC4-[1-ethyl-5-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine;4-[4-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]pyridine
SMILESCCn1c(-c2c(C)cc(C)cc2C)nc(-c2ccncc2)c1-c1ccc(C(F)(F)F)cc1.Cc1cc(C)c(-c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3)[nH]2)c(C)c1
InChIInChI=1S/C26H24F3N3.C24H20F3N3/c1-5-32-24(20-6-8-21(9-7-20)26(27,28)29)23(19-10-12-30-13-11-19)31-25(32)22-17(3)14-16(2)15-18(22)4;1-14-12-15(2)20(16(3)13-14)23-29-21(22(30-23)18-8-10-28-11-9-18)17-4-6-19(7-5-17)24(25,26)27/h6-15H,5H2,1-4H3;4-13H,1-3H3,(H,29,30)
InChIKeySAQJYCRCWCAECQ-UHFFFAOYSA-N
MW842.93 g/mol
LogP13.99
Rot. Bonds7

About 4-[1-ethyl-5-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine;4-[4-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]pyridine

4-[1-ethyl-5-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine;4-[4-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 87794912) has the molecular formula C50H44F6N6 and a molecular weight of 842.93 g/mol. Its IUPAC name is 4-[1-ethyl-5-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine;4-[4-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[1-ethyl-5-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine;4-[4-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]pyridine
PubChem CID87794912
Molecular FormulaC50H44F6N6
Molecular Weight842.93 g/mol
Exact Mass842.35
IUPAC Name4-[1-ethyl-5-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine;4-[4-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]pyridine
SMILESCCn1c(-c2c(C)cc(C)cc2C)nc(-c2ccncc2)c1-c1ccc(C(F)(F)F)cc1.Cc1cc(C)c(-c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3)[nH]2)c(C)c1
InChIInChI=1S/C26H24F3N3.C24H20F3N3/c1-5-32-24(20-6-8-21(9-7-20)26(27,28)29)23(19-10-12-30-13-11-19)31-25(32)22-17(3)14-16(2)15-18(22)4;1-14-12-15(2)20(16(3)13-14)23-29-21(22(30-23)18-8-10-28-11-9-18)17-4-6-19(7-5-17)24(25,26)27/h6-15H,5H2,1-4H3;4-13H,1-3H3,(H,29,30)
InChIKeySAQJYCRCWCAECQ-UHFFFAOYSA-N
XLogP13.99
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.93
LogP ≤ 513.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-ethyl-5-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine;4-[4-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-ethyl-5-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine;4-[4-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[1-ethyl-5-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine;4-[4-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]pyridine (CID 87794912) is 4-[1-ethyl-5-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine;4-[4-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[1-ethyl-5-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine;4-[4-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[1-ethyl-5-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine;4-[4-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]pyridine is CCn1c(-c2c(C)cc(C)cc2C)nc(-c2ccncc2)c1-c1ccc(C(F)(F)F)cc1.Cc1cc(C)c(-c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3)[nH]2)c(C)c1.
What is the InChIKey of 4-[1-ethyl-5-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine;4-[4-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is SAQJYCRCWCAECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3.C24H20F3N3/c1-5-32-24(20-6-8-21(9-7-20)26(27,28)29)23(19-10-12-30-13-11-19)31-25(32)22-17(3)14-16(2)15-18(22)4;1-14-12-15(2)20(16(3)13-14)23-29-21(22(30-23)18-8-10-28-11-9-18)17-4-6-19(7-5-17)24(25,26)27/h6-15H,5H2,1-4H3;4-13H,1-3H3,(H,29,30).
What are the key properties of 4-[1-ethyl-5-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine;4-[4-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]pyridine?
4-[1-ethyl-5-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine;4-[4-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 842.93 g/mol, XLogP of 13.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethyl-5-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)imidazol-4-yl]pyridine;4-[4-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 87794912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).