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

C37H26F3N3 — CID 122191973

IUPAC3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole
SMILESCc1ccc(-n2c(-c3c(-c4ccc(C(F)(F)F)cc4)[nH]c4ccccc34)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C37H26F3N3/c1-24-16-22-29(23-17-24)43-35(27-12-6-3-7-13-27)34(25-10-4-2-5-11-25)42-36(43)32-30-14-8-9-15-31(30)41-33(32)26-18-20-28(21-19-26)37(38,39)40/h2-23,41H,1H3
InChIKeyBWLUOWYGBIIQGI-UHFFFAOYSA-N
MW569.63 g/mol
LogP10.35
Rot. Bonds5

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

3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole (PubChem CID 122191973) has the molecular formula C37H26F3N3 and a molecular weight of 569.63 g/mol. Its IUPAC name is 3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole.

Molecular Properties

Compound Name3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole
PubChem CID122191973
Molecular FormulaC37H26F3N3
Molecular Weight569.63 g/mol
Exact Mass569.21
IUPAC Name3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole
SMILESCc1ccc(-n2c(-c3c(-c4ccc(C(F)(F)F)cc4)[nH]c4ccccc34)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C37H26F3N3/c1-24-16-22-29(23-17-24)43-35(27-12-6-3-7-13-27)34(25-10-4-2-5-11-25)42-36(43)32-30-14-8-9-15-31(30)41-33(32)26-18-20-28(21-19-26)37(38,39)40/h2-23,41H,1H3
InChIKeyBWLUOWYGBIIQGI-UHFFFAOYSA-N
XLogP10.35
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.63
LogP ≤ 510.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole?
The IUPAC name of 3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole (CID 122191973) is 3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole.
What is the SMILES notation for 3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole?
The canonical SMILES for 3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole is Cc1ccc(-n2c(-c3c(-c4ccc(C(F)(F)F)cc4)[nH]c4ccccc34)nc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole?
The InChIKey is BWLUOWYGBIIQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26F3N3/c1-24-16-22-29(23-17-24)43-35(27-12-6-3-7-13-27)34(25-10-4-2-5-11-25)42-36(43)32-30-14-8-9-15-31(30)41-33(32)26-18-20-28(21-19-26)37(38,39)40/h2-23,41H,1H3.
What are the key properties of 3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole?
3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole has a molecular weight of 569.63 g/mol, XLogP of 10.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole is sourced from PubChem (CID 122191973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).