4-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine

C22H13Cl3F3N3 — CID 11648707

IUPAC4-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine
SMILESFC(F)(F)Cn1c(-c2c(Cl)cccc2Cl)nc(-c2ccncc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H13Cl3F3N3/c23-15-6-4-14(5-7-15)20-19(13-8-10-29-11-9-13)30-21(31(20)12-22(26,27)28)18-16(24)2-1-3-17(18)25/h1-11H,12H2
InChIKeyAFAZGEIMDAYLLE-UHFFFAOYSA-N
MW482.72 g/mol
LogP7.80
Rot. Bonds4

About 4-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine

4-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine (PubChem CID 11648707) has the molecular formula C22H13Cl3F3N3 and a molecular weight of 482.72 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine
PubChem CID11648707
Molecular FormulaC22H13Cl3F3N3
Molecular Weight482.72 g/mol
Exact Mass481.01
IUPAC Name4-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine
SMILESFC(F)(F)Cn1c(-c2c(Cl)cccc2Cl)nc(-c2ccncc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H13Cl3F3N3/c23-15-6-4-14(5-7-15)20-19(13-8-10-29-11-9-13)30-21(31(20)12-22(26,27)28)18-16(24)2-1-3-17(18)25/h1-11H,12H2
InChIKeyAFAZGEIMDAYLLE-UHFFFAOYSA-N
XLogP7.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.72
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine (CID 11648707) is 4-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine is FC(F)(F)Cn1c(-c2c(Cl)cccc2Cl)nc(-c2ccncc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine?
The InChIKey is AFAZGEIMDAYLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl3F3N3/c23-15-6-4-14(5-7-15)20-19(13-8-10-29-11-9-13)30-21(31(20)12-22(26,27)28)18-16(24)2-1-3-17(18)25/h1-11H,12H2.
What are the key properties of 4-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine?
4-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine has a molecular weight of 482.72 g/mol, XLogP of 7.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 11648707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).