6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)-1H-benzimidazole

C24H16F9N5 — CID 11584749

IUPAC6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)-1H-benzimidazole
SMILESFc1cc(-c2cc(C(F)(F)F)cc3[nH]c(N4CCN(c5ncccc5C(F)(F)F)CC4)nc23)cc(F)c1F
InChIInChI=1S/C24H16F9N5/c25-16-8-12(9-17(26)19(16)27)14-10-13(23(28,29)30)11-18-20(14)36-22(35-18)38-6-4-37(5-7-38)21-15(24(31,32)33)2-1-3-34-21/h1-3,8-11H,4-7H2,(H,35,36)
InChIKeyTVGAJVWISKWMLL-UHFFFAOYSA-N
MW545.41 g/mol
LogP6.41
Rot. Bonds3

About 6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)-1H-benzimidazole

6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)-1H-benzimidazole (PubChem CID 11584749) has the molecular formula C24H16F9N5 and a molecular weight of 545.41 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)-1H-benzimidazole
PubChem CID11584749
Molecular FormulaC24H16F9N5
Molecular Weight545.41 g/mol
Exact Mass545.13
IUPAC Name6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)-1H-benzimidazole
SMILESFc1cc(-c2cc(C(F)(F)F)cc3[nH]c(N4CCN(c5ncccc5C(F)(F)F)CC4)nc23)cc(F)c1F
InChIInChI=1S/C24H16F9N5/c25-16-8-12(9-17(26)19(16)27)14-10-13(23(28,29)30)11-18-20(14)36-22(35-18)38-6-4-37(5-7-38)21-15(24(31,32)33)2-1-3-34-21/h1-3,8-11H,4-7H2,(H,35,36)
InChIKeyTVGAJVWISKWMLL-UHFFFAOYSA-N
XLogP6.41
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.41
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)-1H-benzimidazole?
The IUPAC name of 6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)-1H-benzimidazole (CID 11584749) is 6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)-1H-benzimidazole.
What is the SMILES notation for 6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)-1H-benzimidazole?
The canonical SMILES for 6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)-1H-benzimidazole is Fc1cc(-c2cc(C(F)(F)F)cc3[nH]c(N4CCN(c5ncccc5C(F)(F)F)CC4)nc23)cc(F)c1F.
What is the InChIKey of 6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)-1H-benzimidazole?
The InChIKey is TVGAJVWISKWMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F9N5/c25-16-8-12(9-17(26)19(16)27)14-10-13(23(28,29)30)11-18-20(14)36-22(35-18)38-6-4-37(5-7-38)21-15(24(31,32)33)2-1-3-34-21/h1-3,8-11H,4-7H2,(H,35,36).
What are the key properties of 6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)-1H-benzimidazole?
6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)-1H-benzimidazole has a molecular weight of 545.41 g/mol, XLogP of 6.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)-1H-benzimidazole is sourced from PubChem (CID 11584749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).