2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole

C12H12F3N3O — CID 86637332

IUPAC2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole
SMILESFC(F)(F)Oc1ccc2nc([C@@H]3CCCN3)[nH]c2c1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)19-7-3-4-8-10(6-7)18-11(17-8)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18)/t9-/m0/s1
InChIKeyNPLARTVLEAYDPK-VIFPVBQESA-N
MW271.24 g/mol
LogP2.89
Rot. Bonds2

About 2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole

2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole (PubChem CID 86637332) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole
PubChem CID86637332
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole
SMILESFC(F)(F)Oc1ccc2nc([C@@H]3CCCN3)[nH]c2c1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)19-7-3-4-8-10(6-7)18-11(17-8)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18)/t9-/m0/s1
InChIKeyNPLARTVLEAYDPK-VIFPVBQESA-N
XLogP2.89
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857632
2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole
CID 59236993
6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 67062568
6-chloro-2-pyrrolidin-2-yl-1H-benzimidazole;sulfuric acid;hydrate
CID 76851545
6-[1-methyl-5-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 68575123
6-[2-(4-methylphenyl)ethynyl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 144601474
2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole
CID 129171884
2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol
CID 171196437
5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857633
2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole
CID 66982264
2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole
CID 59450040
(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine
CID 171195260

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole (CID 86637332) is 2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole is FC(F)(F)Oc1ccc2nc([C@@H]3CCCN3)[nH]c2c1.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole?
The InChIKey is NPLARTVLEAYDPK-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12F3N3O/c13-12(14,15)19-7-3-4-8-10(6-7)18-11(17-8)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18)/t9-/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole?
2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole has a molecular weight of 271.24 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole is sourced from PubChem (CID 86637332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).