3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole

C36H23ClF3N3 — CID 122191976

IUPAC3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole
SMILESFC(F)(F)c1ccc(-c2[nH]c3ccccc3c2-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C36H23ClF3N3/c37-27-19-21-28(22-20-27)43-34(25-11-5-2-6-12-25)33(23-9-3-1-4-10-23)42-35(43)31-29-13-7-8-14-30(29)41-32(31)24-15-17-26(18-16-24)36(38,39)40/h1-22,41H
InChIKeyBAQSHBZCUHZUSE-UHFFFAOYSA-N
MW590.05 g/mol
LogP10.69
Rot. Bonds5

About 3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole

3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole (PubChem CID 122191976) has the molecular formula C36H23ClF3N3 and a molecular weight of 590.05 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole
PubChem CID122191976
Molecular FormulaC36H23ClF3N3
Molecular Weight590.05 g/mol
Exact Mass589.15
IUPAC Name3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole
SMILESFC(F)(F)c1ccc(-c2[nH]c3ccccc3c2-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C36H23ClF3N3/c37-27-19-21-28(22-20-27)43-34(25-11-5-2-6-12-25)33(23-9-3-1-4-10-23)42-35(43)31-29-13-7-8-14-30(29)41-32(31)24-15-17-26(18-16-24)36(38,39)40/h1-22,41H
InChIKeyBAQSHBZCUHZUSE-UHFFFAOYSA-N
XLogP10.69
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.05
LogP ≤ 510.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole?
The IUPAC name of 3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole (CID 122191976) is 3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole.
What is the SMILES notation for 3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole?
The canonical SMILES for 3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole is FC(F)(F)c1ccc(-c2[nH]c3ccccc3c2-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole?
The InChIKey is BAQSHBZCUHZUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23ClF3N3/c37-27-19-21-28(22-20-27)43-34(25-11-5-2-6-12-25)33(23-9-3-1-4-10-23)42-35(43)31-29-13-7-8-14-30(29)41-32(31)24-15-17-26(18-16-24)36(38,39)40/h1-22,41H.
What are the key properties of 3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole?
3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole has a molecular weight of 590.05 g/mol, XLogP of 10.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole is sourced from PubChem (CID 122191976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).