2-(trifluoromethyl)-1-[5-[2-(trifluoromethyl)benzimidazol-1-yl]naphthalen-1-yl]benzimidazole

C26H14F6N4 — CID 166446510

IUPAC2-(trifluoromethyl)-1-[5-[2-(trifluoromethyl)benzimidazol-1-yl]naphthalen-1-yl]benzimidazole
SMILESFC(F)(F)c1nc2ccccc2n1-c1cccc2c(-n3c(C(F)(F)F)nc4ccccc43)cccc12
InChIInChI=1S/C26H14F6N4/c27-25(28,29)23-33-17-9-1-3-11-21(17)35(23)19-13-5-8-16-15(19)7-6-14-20(16)36-22-12-4-2-10-18(22)34-24(36)26(30,31)32/h1-14H
InChIKeyLHIYRQOVEMPZMR-UHFFFAOYSA-N
MW496.41 g/mol
LogP7.56
Rot. Bonds2

About 2-(trifluoromethyl)-1-[5-[2-(trifluoromethyl)benzimidazol-1-yl]naphthalen-1-yl]benzimidazole

2-(trifluoromethyl)-1-[5-[2-(trifluoromethyl)benzimidazol-1-yl]naphthalen-1-yl]benzimidazole (PubChem CID 166446510) has the molecular formula C26H14F6N4 and a molecular weight of 496.41 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1-[5-[2-(trifluoromethyl)benzimidazol-1-yl]naphthalen-1-yl]benzimidazole.

Molecular Properties

Compound Name2-(trifluoromethyl)-1-[5-[2-(trifluoromethyl)benzimidazol-1-yl]naphthalen-1-yl]benzimidazole
PubChem CID166446510
Molecular FormulaC26H14F6N4
Molecular Weight496.41 g/mol
Exact Mass496.11
IUPAC Name2-(trifluoromethyl)-1-[5-[2-(trifluoromethyl)benzimidazol-1-yl]naphthalen-1-yl]benzimidazole
SMILESFC(F)(F)c1nc2ccccc2n1-c1cccc2c(-n3c(C(F)(F)F)nc4ccccc43)cccc12
InChIInChI=1S/C26H14F6N4/c27-25(28,29)23-33-17-9-1-3-11-21(17)35(23)19-13-5-8-16-15(19)7-6-14-20(16)36-22-12-4-2-10-18(22)34-24(36)26(30,31)32/h1-14H
InChIKeyLHIYRQOVEMPZMR-UHFFFAOYSA-N
XLogP7.56
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.41
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(trifluoromethyl)-1-[5-[2-(trifluoromethyl)benzimidazol-1-yl]naphthalen-1-yl]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)-1-[5-[2-(trifluoromethyl)benzimidazol-1-yl]naphthalen-1-yl]benzimidazole?
The IUPAC name of 2-(trifluoromethyl)-1-[5-[2-(trifluoromethyl)benzimidazol-1-yl]naphthalen-1-yl]benzimidazole (CID 166446510) is 2-(trifluoromethyl)-1-[5-[2-(trifluoromethyl)benzimidazol-1-yl]naphthalen-1-yl]benzimidazole.
What is the SMILES notation for 2-(trifluoromethyl)-1-[5-[2-(trifluoromethyl)benzimidazol-1-yl]naphthalen-1-yl]benzimidazole?
The canonical SMILES for 2-(trifluoromethyl)-1-[5-[2-(trifluoromethyl)benzimidazol-1-yl]naphthalen-1-yl]benzimidazole is FC(F)(F)c1nc2ccccc2n1-c1cccc2c(-n3c(C(F)(F)F)nc4ccccc43)cccc12.
What is the InChIKey of 2-(trifluoromethyl)-1-[5-[2-(trifluoromethyl)benzimidazol-1-yl]naphthalen-1-yl]benzimidazole?
The InChIKey is LHIYRQOVEMPZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F6N4/c27-25(28,29)23-33-17-9-1-3-11-21(17)35(23)19-13-5-8-16-15(19)7-6-14-20(16)36-22-12-4-2-10-18(22)34-24(36)26(30,31)32/h1-14H.
What are the key properties of 2-(trifluoromethyl)-1-[5-[2-(trifluoromethyl)benzimidazol-1-yl]naphthalen-1-yl]benzimidazole?
2-(trifluoromethyl)-1-[5-[2-(trifluoromethyl)benzimidazol-1-yl]naphthalen-1-yl]benzimidazole has a molecular weight of 496.41 g/mol, XLogP of 7.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1-[5-[2-(trifluoromethyl)benzimidazol-1-yl]naphthalen-1-yl]benzimidazole is sourced from PubChem (CID 166446510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).