2-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-(3,5-difluorophenyl)benzimidazole

C34H19F4N5 — CID 155173980

IUPAC2-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-(3,5-difluorophenyl)benzimidazole
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3cccc(-c4nc5ccccc5n4-c4cc(F)cc(F)c4)c3)n2)cc1
InChIInChI=1S/C34H19F4N5/c35-24-12-8-20(9-13-24)31-40-32(21-10-14-25(36)15-11-21)42-33(41-31)22-4-3-5-23(16-22)34-39-29-6-1-2-7-30(29)43(34)28-18-26(37)17-27(38)19-28/h1-19H
InChIKeyBGMCFLDGZVSXMK-UHFFFAOYSA-N
MW573.55 g/mol
LogP8.43
Rot. Bonds5

About 2-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-(3,5-difluorophenyl)benzimidazole

2-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-(3,5-difluorophenyl)benzimidazole (PubChem CID 155173980) has the molecular formula C34H19F4N5 and a molecular weight of 573.55 g/mol. Its IUPAC name is 2-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-(3,5-difluorophenyl)benzimidazole.

Molecular Properties

Compound Name2-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-(3,5-difluorophenyl)benzimidazole
PubChem CID155173980
Molecular FormulaC34H19F4N5
Molecular Weight573.55 g/mol
Exact Mass573.16
IUPAC Name2-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-(3,5-difluorophenyl)benzimidazole
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3cccc(-c4nc5ccccc5n4-c4cc(F)cc(F)c4)c3)n2)cc1
InChIInChI=1S/C34H19F4N5/c35-24-12-8-20(9-13-24)31-40-32(21-10-14-25(36)15-11-21)42-33(41-31)22-4-3-5-23(16-22)34-39-29-6-1-2-7-30(29)43(34)28-18-26(37)17-27(38)19-28/h1-19H
InChIKeyBGMCFLDGZVSXMK-UHFFFAOYSA-N
XLogP8.43
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.55
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole
CID 155173981
2-[3,5-bis[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole
CID 155179345
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole
CID 155173937
1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
CID 155179256
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
CID 155173927
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
2-[3-[4-phenyl-6-[3-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-3-ylbenzimidazole
CID 155185764
4-[4-[3-[4-phenyl-6-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline
CID 170034469
2-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]phenyl]benzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole
CID 161378320
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-methylphenyl)benzimidazol-1-yl]phenyl]-2-(4-methylphenyl)benzimidazole
CID 155173966
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
1-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole
CID 155173845

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-(3,5-difluorophenyl)benzimidazole?
The IUPAC name of 2-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-(3,5-difluorophenyl)benzimidazole (CID 155173980) is 2-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-(3,5-difluorophenyl)benzimidazole.
What is the SMILES notation for 2-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-(3,5-difluorophenyl)benzimidazole?
The canonical SMILES for 2-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-(3,5-difluorophenyl)benzimidazole is Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3cccc(-c4nc5ccccc5n4-c4cc(F)cc(F)c4)c3)n2)cc1.
What is the InChIKey of 2-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-(3,5-difluorophenyl)benzimidazole?
The InChIKey is BGMCFLDGZVSXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19F4N5/c35-24-12-8-20(9-13-24)31-40-32(21-10-14-25(36)15-11-21)42-33(41-31)22-4-3-5-23(16-22)34-39-29-6-1-2-7-30(29)43(34)28-18-26(37)17-27(38)19-28/h1-19H.
What are the key properties of 2-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-(3,5-difluorophenyl)benzimidazole?
2-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-(3,5-difluorophenyl)benzimidazole has a molecular weight of 573.55 g/mol, XLogP of 8.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-(3,5-difluorophenyl)benzimidazole is sourced from PubChem (CID 155173980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).