2-(trifluoromethyl)-4-[4-[2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]ethyl]piperazin-1-yl]-1H-benzimidazole

C22H20F6N6 — CID 44561107

IUPAC2-(trifluoromethyl)-4-[4-[2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]ethyl]piperazin-1-yl]-1H-benzimidazole
SMILESFC(F)(F)c1nc2c(CCN3CCN(c4cccc5[nH]c(C(F)(F)F)nc45)CC3)cccc2[nH]1
InChIInChI=1S/C22H20F6N6/c23-21(24,25)19-29-14-4-1-3-13(17(14)31-19)7-8-33-9-11-34(12-10-33)16-6-2-5-15-18(16)32-20(30-15)22(26,27)28/h1-6H,7-12H2,(H,29,31)(H,30,32)
InChIKeyOYOVRFUCIGUGGW-UHFFFAOYSA-N
MW482.43 g/mol
LogP4.84
Rot. Bonds4

About 2-(trifluoromethyl)-4-[4-[2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]ethyl]piperazin-1-yl]-1H-benzimidazole

2-(trifluoromethyl)-4-[4-[2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]ethyl]piperazin-1-yl]-1H-benzimidazole (PubChem CID 44561107) has the molecular formula C22H20F6N6 and a molecular weight of 482.43 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4-[4-[2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]ethyl]piperazin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-(trifluoromethyl)-4-[4-[2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]ethyl]piperazin-1-yl]-1H-benzimidazole
PubChem CID44561107
Molecular FormulaC22H20F6N6
Molecular Weight482.43 g/mol
Exact Mass482.17
IUPAC Name2-(trifluoromethyl)-4-[4-[2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]ethyl]piperazin-1-yl]-1H-benzimidazole
SMILESFC(F)(F)c1nc2c(CCN3CCN(c4cccc5[nH]c(C(F)(F)F)nc45)CC3)cccc2[nH]1
InChIInChI=1S/C22H20F6N6/c23-21(24,25)19-29-14-4-1-3-13(17(14)31-19)7-8-33-9-11-34(12-10-33)16-6-2-5-15-18(16)32-20(30-15)22(26,27)28/h1-6H,7-12H2,(H,29,31)(H,30,32)
InChIKeyOYOVRFUCIGUGGW-UHFFFAOYSA-N
XLogP4.84
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.43
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(trifluoromethyl)-4-[4-[2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]ethyl]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 2-(trifluoromethyl)-4-[4-[2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]ethyl]piperazin-1-yl]-1H-benzimidazole?
The IUPAC name of 2-(trifluoromethyl)-4-[4-[2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]ethyl]piperazin-1-yl]-1H-benzimidazole (CID 44561107) is 2-(trifluoromethyl)-4-[4-[2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]ethyl]piperazin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 2-(trifluoromethyl)-4-[4-[2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]ethyl]piperazin-1-yl]-1H-benzimidazole?
The canonical SMILES for 2-(trifluoromethyl)-4-[4-[2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]ethyl]piperazin-1-yl]-1H-benzimidazole is FC(F)(F)c1nc2c(CCN3CCN(c4cccc5[nH]c(C(F)(F)F)nc45)CC3)cccc2[nH]1.
What is the InChIKey of 2-(trifluoromethyl)-4-[4-[2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]ethyl]piperazin-1-yl]-1H-benzimidazole?
The InChIKey is OYOVRFUCIGUGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F6N6/c23-21(24,25)19-29-14-4-1-3-13(17(14)31-19)7-8-33-9-11-34(12-10-33)16-6-2-5-15-18(16)32-20(30-15)22(26,27)28/h1-6H,7-12H2,(H,29,31)(H,30,32).
What are the key properties of 2-(trifluoromethyl)-4-[4-[2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]ethyl]piperazin-1-yl]-1H-benzimidazole?
2-(trifluoromethyl)-4-[4-[2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]ethyl]piperazin-1-yl]-1H-benzimidazole has a molecular weight of 482.43 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4-[4-[2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]ethyl]piperazin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 44561107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).