1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole

C20H13F3N2 — CID 18957886

IUPAC1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole
SMILESFC(F)(F)c1cccc(-c2cccc(-n3cnc4ccccc43)c2)c1
InChIInChI=1S/C20H13F3N2/c21-20(22,23)16-7-3-5-14(11-16)15-6-4-8-17(12-15)25-13-24-18-9-1-2-10-19(18)25/h1-13H
InChIKeyCMXLZGFQJKNEHH-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.71
Rot. Bonds2

About 1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole

1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole (PubChem CID 18957886) has the molecular formula C20H13F3N2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole
PubChem CID18957886
Molecular FormulaC20H13F3N2
Molecular Weight338.33 g/mol
Exact Mass338.10
IUPAC Name1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole
SMILESFC(F)(F)c1cccc(-c2cccc(-n3cnc4ccccc43)c2)c1
InChIInChI=1S/C20H13F3N2/c21-20(22,23)16-7-3-5-14(11-16)15-6-4-8-17(12-15)25-13-24-18-9-1-2-10-19(18)25/h1-13H
InChIKeyCMXLZGFQJKNEHH-UHFFFAOYSA-N
XLogP5.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole?
The IUPAC name of 1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole (CID 18957886) is 1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole.
What is the SMILES notation for 1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole?
The canonical SMILES for 1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole is FC(F)(F)c1cccc(-c2cccc(-n3cnc4ccccc43)c2)c1.
What is the InChIKey of 1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole?
The InChIKey is CMXLZGFQJKNEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2/c21-20(22,23)16-7-3-5-14(11-16)15-6-4-8-17(12-15)25-13-24-18-9-1-2-10-19(18)25/h1-13H.
What are the key properties of 1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole?
1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole has a molecular weight of 338.33 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole is sourced from PubChem (CID 18957886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).