4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]benzonitrile

C17H12F3N3O — CID 35503113

IUPAC4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCn2c(C(F)(F)F)nc3ccccc32)cc1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)16-22-14-3-1-2-4-15(14)23(16)9-10-24-13-7-5-12(11-21)6-8-13/h1-8H,9-10H2
InChIKeyQITCWLGDVYPONP-UHFFFAOYSA-N
MW331.30 g/mol
LogP4.01
Rot. Bonds4

About 4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]benzonitrile

4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]benzonitrile (PubChem CID 35503113) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is 4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]benzonitrile
PubChem CID35503113
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCn2c(C(F)(F)F)nc3ccccc32)cc1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)16-22-14-3-1-2-4-15(14)23(16)9-10-24-13-7-5-12(11-21)6-8-13/h1-8H,9-10H2
InChIKeyQITCWLGDVYPONP-UHFFFAOYSA-N
XLogP4.01
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole
CID 611619
3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]aniline
CID 94757330
1-[3-(4-nitrophenoxy)propyl]-2-(trifluoromethyl)benzimidazole
CID 55876053
2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 17000405
1-[2-[(6-chloro-1,2,4,5-tetrazin-3-yl)oxy]ethyl]-2-(trifluoromethyl)benzimidazole
CID 88992091
1-[3-(4-prop-2-enoxyphenyl)prop-2-ynyl]-2-(trifluoromethyl)benzimidazole
CID 134102962
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789
2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide
CID 53063129
5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol
CID 111469972
1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole
CID 16996767
1-[4-(2-propan-2-ylphenoxy)butyl]-2-(trifluoromethyl)benzimidazole
CID 16996825
1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole
CID 3984875

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]benzonitrile?
The IUPAC name of 4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]benzonitrile (CID 35503113) is 4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]benzonitrile?
The canonical SMILES for 4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]benzonitrile is N#Cc1ccc(OCCn2c(C(F)(F)F)nc3ccccc32)cc1.
What is the InChIKey of 4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]benzonitrile?
The InChIKey is QITCWLGDVYPONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c18-17(19,20)16-22-14-3-1-2-4-15(14)23(16)9-10-24-13-7-5-12(11-21)6-8-13/h1-8H,9-10H2.
What are the key properties of 4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]benzonitrile?
4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]benzonitrile has a molecular weight of 331.30 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]benzonitrile is sourced from PubChem (CID 35503113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).