2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole

C20H12F4N2 — CID 168554182

IUPAC2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole
SMILESFc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1C(F)(F)F
InChIInChI=1S/C20H12F4N2/c21-16-10-9-14(11-15(16)20(22,23)24)12-5-7-13(8-6-12)19-25-17-3-1-2-4-18(17)26-19/h1-11H,(H,25,26)
InChIKeyPLBBMWGTSQPFCD-UHFFFAOYSA-N
MW356.32 g/mol
LogP6.05
Rot. Bonds2

About 2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole

2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole (PubChem CID 168554182) has the molecular formula C20H12F4N2 and a molecular weight of 356.32 g/mol. Its IUPAC name is 2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole
PubChem CID168554182
Molecular FormulaC20H12F4N2
Molecular Weight356.32 g/mol
Exact Mass356.09
IUPAC Name2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole
SMILESFc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1C(F)(F)F
InChIInChI=1S/C20H12F4N2/c21-16-10-9-14(11-15(16)20(22,23)24)12-5-7-13(8-6-12)19-25-17-3-1-2-4-18(17)26-19/h1-11H,(H,25,26)
InChIKeyPLBBMWGTSQPFCD-UHFFFAOYSA-N
XLogP6.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.32
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 168555765
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 64723741
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717
2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol
CID 168555704
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole
CID 64722297
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
CID 168554030
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole
CID 142742969
2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole
CID 168555276
[4-(1H-benzimidazol-2-yl)phenyl]-[4-chloro-3-(trifluoromethyl)phenyl]methanone
CID 68698972
2-phenyl-1H-benzimidazole;zinc
CID 174639851

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole (CID 168554182) is 2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole is Fc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole?
The InChIKey is PLBBMWGTSQPFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N2/c21-16-10-9-14(11-15(16)20(22,23)24)12-5-7-13(8-6-12)19-25-17-3-1-2-4-18(17)26-19/h1-11H,(H,25,26).
What are the key properties of 2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole?
2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole has a molecular weight of 356.32 g/mol, XLogP of 6.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 168554182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).