4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole

C26H21F6N5 — CID 11504521

IUPAC4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
SMILESFC(F)(F)c1cc(/C=C/c2ccccc2)c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1
InChIInChI=1S/C26H21F6N5/c27-25(28,29)19-15-18(9-8-17-5-2-1-3-6-17)22-21(16-19)34-24(35-22)37-13-11-36(12-14-37)23-20(26(30,31)32)7-4-10-33-23/h1-10,15-16H,11-14H2,(H,34,35)/b9-8+
InChIKeyMMFYDYCMTYSGLC-CMDGGOBGSA-N
MW517.48 g/mol
LogP6.49
Rot. Bonds4

About 4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole

4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole (PubChem CID 11504521) has the molecular formula C26H21F6N5 and a molecular weight of 517.48 g/mol. Its IUPAC name is 4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
PubChem CID11504521
Molecular FormulaC26H21F6N5
Molecular Weight517.48 g/mol
Exact Mass517.17
IUPAC Name4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
SMILESFC(F)(F)c1cc(/C=C/c2ccccc2)c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1
InChIInChI=1S/C26H21F6N5/c27-25(28,29)19-15-18(9-8-17-5-2-1-3-6-17)22-21(16-19)34-24(35-22)37-13-11-36(12-14-37)23-20(26(30,31)32)7-4-10-33-23/h1-10,15-16H,11-14H2,(H,34,35)/b9-8+
InChIKeyMMFYDYCMTYSGLC-CMDGGOBGSA-N
XLogP6.49
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.48
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-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 4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
The IUPAC name of 4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole (CID 11504521) is 4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
The canonical SMILES for 4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole is FC(F)(F)c1cc(/C=C/c2ccccc2)c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1.
What is the InChIKey of 4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
The InChIKey is MMFYDYCMTYSGLC-CMDGGOBGSA-N. The full InChI is InChI=1S/C26H21F6N5/c27-25(28,29)19-15-18(9-8-17-5-2-1-3-6-17)22-21(16-19)34-24(35-22)37-13-11-36(12-14-37)23-20(26(30,31)32)7-4-10-33-23/h1-10,15-16H,11-14H2,(H,34,35)/b9-8+.
What are the key properties of 4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole has a molecular weight of 517.48 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 11504521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).