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

C20H13F3N2O — CID 168554030

IUPAC2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
SMILESFC(F)(F)Oc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C20H13F3N2O/c21-20(22,23)26-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-24-17-3-1-2-4-18(17)25-19/h1-12H,(H,24,25)
InChIKeyQCDVHLKBVXAWGD-UHFFFAOYSA-N
MW354.33 g/mol
LogP5.80
Rot. Bonds3

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

2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole (PubChem CID 168554030) has the molecular formula C20H13F3N2O and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
PubChem CID168554030
Molecular FormulaC20H13F3N2O
Molecular Weight354.33 g/mol
Exact Mass354.10
IUPAC Name2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
SMILESFC(F)(F)Oc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C20H13F3N2O/c21-20(22,23)26-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-24-17-3-1-2-4-18(17)25-19/h1-12H,(H,24,25)
InChIKeyQCDVHLKBVXAWGD-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-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
CID 168554031
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
2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183
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
2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole
CID 68842284
2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole
CID 168553556
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole
CID 168554182

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole (CID 168554030) is 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole is FC(F)(F)Oc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1.
What is the InChIKey of 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole?
The InChIKey is QCDVHLKBVXAWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O/c21-20(22,23)26-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-24-17-3-1-2-4-18(17)25-19/h1-12H,(H,24,25).
What are the key properties of 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole?
2-[4-[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-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 168554030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).