1-[3-[(3-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-2-imidazol-1-ylethanone

C17H20FN3O3 — CID 132776946

IUPAC1-[3-[(3-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-2-imidazol-1-ylethanone
SMILESCOC1(COc2cccc(F)c2)CCN(C(=O)Cn2ccnc2)C1
InChIInChI=1S/C17H20FN3O3/c1-23-17(12-24-15-4-2-3-14(18)9-15)5-7-21(11-17)16(22)10-20-8-6-19-13-20/h2-4,6,8-9,13H,5,7,10-12H2,1H3
InChIKeyNQIMYXUQBQGEPH-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.72
Rot. Bonds6

About 1-[3-[(3-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-2-imidazol-1-ylethanone

1-[3-[(3-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-2-imidazol-1-ylethanone (PubChem CID 132776946) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-[3-[(3-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-[3-[(3-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-2-imidazol-1-ylethanone
PubChem CID132776946
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name1-[3-[(3-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-2-imidazol-1-ylethanone
SMILESCOC1(COc2cccc(F)c2)CCN(C(=O)Cn2ccnc2)C1
InChIInChI=1S/C17H20FN3O3/c1-23-17(12-24-15-4-2-3-14(18)9-15)5-7-21(11-17)16(22)10-20-8-6-19-13-20/h2-4,6,8-9,13H,5,7,10-12H2,1H3
InChIKeyNQIMYXUQBQGEPH-UHFFFAOYSA-N
XLogP1.72
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 132764475
1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-imidazol-1-ylethanone
CID 110146632
N-[2-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 132948466
1-[3-[(3-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-2-phenoxyethanone
CID 132770532
1-[3-[(3-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 132770579
N-benzyl-2-[3-[(3-chlorophenoxy)methyl]-1-(2-imidazol-1-ylacetyl)piperidin-3-yl]-N-methylacetamide
CID 110079041
[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 132776924
2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 155990933
2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47101279
4-[(3-chlorophenoxy)methyl]-1-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-methoxypiperidine
CID 129453505
ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(2-imidazol-1-ylacetyl)piperidine-3-carboxylate
CID 42095294
2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride
CID 171687664

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-2-imidazol-1-ylethanone?
The IUPAC name of 1-[3-[(3-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-2-imidazol-1-ylethanone (CID 132776946) is 1-[3-[(3-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-[3-[(3-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-2-imidazol-1-ylethanone?
The canonical SMILES for 1-[3-[(3-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-2-imidazol-1-ylethanone is COC1(COc2cccc(F)c2)CCN(C(=O)Cn2ccnc2)C1.
What is the InChIKey of 1-[3-[(3-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-2-imidazol-1-ylethanone?
The InChIKey is NQIMYXUQBQGEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-23-17(12-24-15-4-2-3-14(18)9-15)5-7-21(11-17)16(22)10-20-8-6-19-13-20/h2-4,6,8-9,13H,5,7,10-12H2,1H3.
What are the key properties of 1-[3-[(3-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-2-imidazol-1-ylethanone?
1-[3-[(3-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-2-imidazol-1-ylethanone has a molecular weight of 333.36 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-2-imidazol-1-ylethanone is sourced from PubChem (CID 132776946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).