3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one

C22H17F3N2O — CID 134084698

IUPAC3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(-c3cccc(C(F)(F)F)c3)ccc2n1CCc1ccccc1
InChIInChI=1S/C22H17F3N2O/c23-22(24,25)18-8-4-7-16(13-18)17-9-10-20-19(14-17)26-21(28)27(20)12-11-15-5-2-1-3-6-15/h1-10,13-14H,11-12H2,(H,26,28)
InChIKeyVIBOXHWEMUHIFA-UHFFFAOYSA-N
MW382.39 g/mol
LogP5.26
Rot. Bonds4

About 3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one

3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one (PubChem CID 134084698) has the molecular formula C22H17F3N2O and a molecular weight of 382.39 g/mol. Its IUPAC name is 3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
PubChem CID134084698
Molecular FormulaC22H17F3N2O
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(-c3cccc(C(F)(F)F)c3)ccc2n1CCc1ccccc1
InChIInChI=1S/C22H17F3N2O/c23-22(24,25)18-8-4-7-16(13-18)17-9-10-20-19(14-17)26-21(28)27(20)12-11-15-5-2-1-3-6-15/h1-10,13-14H,11-12H2,(H,26,28)
InChIKeyVIBOXHWEMUHIFA-UHFFFAOYSA-N
XLogP5.26
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 2545714
6-amino-3-(2-phenylethyl)-1H-benzimidazol-2-one
CID 110491478
3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one
CID 134084615
3-(3-phenylpropyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061322
3-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]-1H-benzimidazol-2-one
CID 23369442
3-benzyl-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061229
1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 70318245
butanedioic acid;3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 67438820
3-prop-2-enyl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 110491254
3-benzyl-6-[4-(phenylmethoxymethyl)phenyl]-1H-benzimidazol-2-one
CID 134084598
3-methyl-6-[5-(2-phenylethyl)-3-pyridinyl]-1H-benzimidazol-2-one
CID 164981966
2,3-dihydroxybutanedioic acid;bis(3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one)
CID 11629377

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one (CID 134084698) is 3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one is O=c1[nH]c2cc(-c3cccc(C(F)(F)F)c3)ccc2n1CCc1ccccc1.
What is the InChIKey of 3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one?
The InChIKey is VIBOXHWEMUHIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O/c23-22(24,25)18-8-4-7-16(13-18)17-9-10-20-19(14-17)26-21(28)27(20)12-11-15-5-2-1-3-6-15/h1-10,13-14H,11-12H2,(H,26,28).
What are the key properties of 3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one?
3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one has a molecular weight of 382.39 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 134084698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).