methyl 2-[2-[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-2-oxoethoxy]acetate

C17H19F2N3O5 — CID 162852967

IUPACmethyl 2-[2-[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-2-oxoethoxy]acetate
SMILESCOC(=O)COCC(=O)N1CC(F)C(OCc2nc3ccc(F)cc3[nH]2)C1
InChIInChI=1S/C17H19F2N3O5/c1-25-17(24)9-26-8-16(23)22-5-11(19)14(6-22)27-7-15-20-12-3-2-10(18)4-13(12)21-15/h2-4,11,14H,5-9H2,1H3,(H,20,21)
InChIKeyKZBDWPAUZHULLC-UHFFFAOYSA-N
MW383.35 g/mol
LogP0.96
Rot. Bonds7

About methyl 2-[2-[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-2-oxoethoxy]acetate

methyl 2-[2-[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-2-oxoethoxy]acetate (PubChem CID 162852967) has the molecular formula C17H19F2N3O5 and a molecular weight of 383.35 g/mol. Its IUPAC name is methyl 2-[2-[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-2-oxoethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-2-oxoethoxy]acetate
PubChem CID162852967
Molecular FormulaC17H19F2N3O5
Molecular Weight383.35 g/mol
Exact Mass383.13
IUPAC Namemethyl 2-[2-[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-2-oxoethoxy]acetate
SMILESCOC(=O)COCC(=O)N1CC(F)C(OCc2nc3ccc(F)cc3[nH]2)C1
InChIInChI=1S/C17H19F2N3O5/c1-25-17(24)9-26-8-16(23)22-5-11(19)14(6-22)27-7-15-20-12-3-2-10(18)4-13(12)21-15/h2-4,11,14H,5-9H2,1H3,(H,20,21)
InChIKeyKZBDWPAUZHULLC-UHFFFAOYSA-N
XLogP0.96
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-2-oxoethoxy]acetate with MolForge

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Related Compounds

[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-phenylmethanone
CID 162954746
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone
CID 118774627
N-[4-[[(3R,4S)-3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 75410644
[(3S,4R)-3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 75410441
methyl 2-[[(3S,4R)-4-fluoro-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]oxymethyl]-3H-benzimidazole-5-carboxylate
CID 75410523
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3S)-3-propoxypiperidin-1-yl]ethanone
CID 125172798
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone
CID 135111792
[(3S,4R)-3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]-phenylmethanone
CID 75410436
2-[(1-benzoyl-4-fluoropyrrolidin-3-yl)oxymethyl]-3H-benzimidazole-5-carbonitrile
CID 162802368
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 96576705
6-fluoro-2-[[(3S,4R)-4-fluoro-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-1H-benzimidazole
CID 75410638
4-[[3-fluoro-4-[(6-methoxycarbonyl-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]methyl]benzoic acid
CID 162798851

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-2-oxoethoxy]acetate?
The IUPAC name of methyl 2-[2-[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-2-oxoethoxy]acetate (CID 162852967) is methyl 2-[2-[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-2-oxoethoxy]acetate.
What is the SMILES notation for methyl 2-[2-[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-2-oxoethoxy]acetate?
The canonical SMILES for methyl 2-[2-[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-2-oxoethoxy]acetate is COC(=O)COCC(=O)N1CC(F)C(OCc2nc3ccc(F)cc3[nH]2)C1.
What is the InChIKey of methyl 2-[2-[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-2-oxoethoxy]acetate?
The InChIKey is KZBDWPAUZHULLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O5/c1-25-17(24)9-26-8-16(23)22-5-11(19)14(6-22)27-7-15-20-12-3-2-10(18)4-13(12)21-15/h2-4,11,14H,5-9H2,1H3,(H,20,21).
What are the key properties of methyl 2-[2-[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-2-oxoethoxy]acetate?
methyl 2-[2-[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-2-oxoethoxy]acetate has a molecular weight of 383.35 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-2-oxoethoxy]acetate is sourced from PubChem (CID 162852967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).