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

C20H13F3N2O — CID 68842284

IUPAC2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole
SMILESFC(F)(F)c1cccc(Oc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C20H13F3N2O/c21-20(22,23)14-4-3-5-16(12-14)26-15-10-8-13(9-11-15)19-24-17-6-1-2-7-18(17)25-19/h1-12H,(H,24,25)
InChIKeyHIMUGQCEJUCLDT-UHFFFAOYSA-N
MW354.33 g/mol
LogP6.04
Rot. Bonds3

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

2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole (PubChem CID 68842284) has the molecular formula C20H13F3N2O and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole
PubChem CID68842284
Molecular FormulaC20H13F3N2O
Molecular Weight354.33 g/mol
Exact Mass354.10
IUPAC Name2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole
SMILESFC(F)(F)c1cccc(Oc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C20H13F3N2O/c21-20(22,23)14-4-3-5-16(12-14)26-15-10-8-13(9-11-15)19-24-17-6-1-2-7-18(17)25-19/h1-12H,(H,24,25)
InChIKeyHIMUGQCEJUCLDT-UHFFFAOYSA-N
XLogP6.04
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.33
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-nitro-4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole
CID 168553604
2-(3-phenoxyphenyl)-1H-benzimidazole
CID 1042921
N,N-diethyl-3-[[2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]oxy]propan-1-amine
CID 141074168
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
CID 168554030
2-[4-[3-(4-methylpiperazin-1-yl)phenoxy]phenyl]-1H-benzimidazole
CID 71425720
2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole
CID 168553556
2-[3-(4-nitrophenoxy)phenyl]-1H-benzimidazole
CID 132847259
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol
CID 122211363
2-[2-(3-tert-butylphenoxy)phenyl]-1H-benzimidazole
CID 168555310
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole
CID 168554182

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole (CID 68842284) is 2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole is FC(F)(F)c1cccc(Oc2ccc(-c3nc4ccccc4[nH]3)cc2)c1.
What is the InChIKey of 2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole?
The InChIKey is HIMUGQCEJUCLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O/c21-20(22,23)14-4-3-5-16(12-14)26-15-10-8-13(9-11-15)19-24-17-6-1-2-7-18(17)25-19/h1-12H,(H,24,25).
What are the key properties of 2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole?
2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole has a molecular weight of 354.33 g/mol, XLogP of 6.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole is sourced from PubChem (CID 68842284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).