2-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole

C20H13F3N2O — CID 168554031

IUPAC2-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
SMILESFC(F)(F)Oc1ccc(-c2ccccc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H13F3N2O/c21-20(22,23)26-14-11-9-13(10-12-14)15-5-1-2-6-16(15)19-24-17-7-3-4-8-18(17)25-19/h1-12H,(H,24,25)
InChIKeyOENVZZKNNPEEOD-UHFFFAOYSA-N
MW354.33 g/mol
LogP5.80
Rot. Bonds3

About 2-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole

2-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole (PubChem CID 168554031) has the molecular formula C20H13F3N2O and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
PubChem CID168554031
Molecular FormulaC20H13F3N2O
Molecular Weight354.33 g/mol
Exact Mass354.10
IUPAC Name2-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
SMILESFC(F)(F)Oc1ccc(-c2ccccc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H13F3N2O/c21-20(22,23)26-14-11-9-13(10-12-14)15-5-1-2-6-16(15)19-24-17-7-3-4-8-18(17)25-19/h1-12H,(H,24,25)
InChIKeyOENVZZKNNPEEOD-UHFFFAOYSA-N
XLogP5.80
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 ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
CID 168554030
2-naphthalen-1-yl-6-(trifluoromethoxy)-1H-benzimidazole
CID 155599071
propan-2-yl 4-[2-(1H-benzimidazol-2-yl)phenyl]benzoate
CID 168554029
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-1H-benzimidazole
CID 168555235
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183
2-[2-(2,3-dichlorophenyl)phenyl]-1H-benzimidazole
CID 134336861
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole (CID 168554031) is 2-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole is FC(F)(F)Oc1ccc(-c2ccccc2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole?
The InChIKey is OENVZZKNNPEEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O/c21-20(22,23)26-14-11-9-13(10-12-14)15-5-1-2-6-16(15)19-24-17-7-3-4-8-18(17)25-19/h1-12H,(H,24,25).
What are the key properties of 2-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole?
2-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole has a molecular weight of 354.33 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 168554031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).