1-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethyl]pyrrolidin-2-one

C21H20F3N3OS — CID 112821836

IUPAC1-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1
InChIInChI=1S/C21H20F3N3OS/c22-21(23,24)16-8-9-18-17(13-16)25-20(27(18)14-15-5-2-1-3-6-15)29-12-11-26-10-4-7-19(26)28/h1-3,5-6,8-9,13H,4,7,10-12,14H2
InChIKeyZREPAACZTHFZOM-UHFFFAOYSA-N
MW419.47 g/mol
LogP4.82
Rot. Bonds6

About 1-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethyl]pyrrolidin-2-one

1-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethyl]pyrrolidin-2-one (PubChem CID 112821836) has the molecular formula C21H20F3N3OS and a molecular weight of 419.47 g/mol. Its IUPAC name is 1-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethyl]pyrrolidin-2-one
PubChem CID112821836
Molecular FormulaC21H20F3N3OS
Molecular Weight419.47 g/mol
Exact Mass419.13
IUPAC Name1-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1
InChIInChI=1S/C21H20F3N3OS/c22-21(23,24)16-8-9-18-17(13-16)25-20(27(18)14-15-5-2-1-3-6-15)29-12-11-26-10-4-7-19(26)28/h1-3,5-6,8-9,13H,4,7,10-12,14H2
InChIKeyZREPAACZTHFZOM-UHFFFAOYSA-N
XLogP4.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 46689137
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide
CID 177370204
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 4030976
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
CID 4033074
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 26434941
N-(benzylcarbamoyl)-2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 3604261
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25361394
4-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one
CID 3582307
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 4815297
1,2-dibenzyl-5-(trifluoromethyl)benzimidazole
CID 46310965
(2S)-2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethyl]pyrrolidin-2-one (CID 112821836) is 1-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethyl]pyrrolidin-2-one is O=C1CCCN1CCSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1.
What is the InChIKey of 1-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethyl]pyrrolidin-2-one?
The InChIKey is ZREPAACZTHFZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3OS/c22-21(23,24)16-8-9-18-17(13-16)25-20(27(18)14-15-5-2-1-3-6-15)29-12-11-26-10-4-7-19(26)28/h1-3,5-6,8-9,13H,4,7,10-12,14H2.
What are the key properties of 1-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethyl]pyrrolidin-2-one?
1-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethyl]pyrrolidin-2-one has a molecular weight of 419.47 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethyl]pyrrolidin-2-one is sourced from PubChem (CID 112821836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).