1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone

C16H20FN3O3 — CID 118774627

IUPAC1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone
SMILESC[C@@H]1CN(C(=O)COCc2nc3ccc(F)cc3[nH]2)C[C@H](C)O1
InChIInChI=1S/C16H20FN3O3/c1-10-6-20(7-11(2)23-10)16(21)9-22-8-15-18-13-4-3-12(17)5-14(13)19-15/h3-5,10-11H,6-9H2,1-2H3,(H,18,19)/t10-,11+
InChIKeyLPUGBWNGMZTNCP-PHIMTYICSA-N
MW321.35 g/mol
LogP1.85
Rot. Bonds4

About 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone (PubChem CID 118774627) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone.

Molecular Properties

Compound Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone
PubChem CID118774627
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone
SMILESC[C@@H]1CN(C(=O)COCc2nc3ccc(F)cc3[nH]2)C[C@H](C)O1
InChIInChI=1S/C16H20FN3O3/c1-10-6-20(7-11(2)23-10)16(21)9-22-8-15-18-13-4-3-12(17)5-14(13)19-15/h3-5,10-11H,6-9H2,1-2H3,(H,18,19)/t10-,11+
InChIKeyLPUGBWNGMZTNCP-PHIMTYICSA-N
XLogP1.85
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone?
The IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone (CID 118774627) is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone.
What is the SMILES notation for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone?
The canonical SMILES for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone is C[C@@H]1CN(C(=O)COCc2nc3ccc(F)cc3[nH]2)C[C@H](C)O1.
What is the InChIKey of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone?
The InChIKey is LPUGBWNGMZTNCP-PHIMTYICSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-10-6-20(7-11(2)23-10)16(21)9-22-8-15-18-13-4-3-12(17)5-14(13)19-15/h3-5,10-11H,6-9H2,1-2H3,(H,18,19)/t10-,11+.
What are the key properties of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone?
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone has a molecular weight of 321.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone is sourced from PubChem (CID 118774627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).