2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3S)-3-propoxypiperidin-1-yl]ethanone

C18H24FN3O3 — CID 125172798

IUPAC2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3S)-3-propoxypiperidin-1-yl]ethanone
SMILESCCCO[C@H]1CCCN(C(=O)COCc2nc3ccc(F)cc3[nH]2)C1
InChIInChI=1S/C18H24FN3O3/c1-2-8-25-14-4-3-7-22(10-14)18(23)12-24-11-17-20-15-6-5-13(19)9-16(15)21-17/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyWFJYENOIPYLWLJ-AWEZNQCLSA-N
MW349.41 g/mol
LogP2.64
Rot. Bonds7

About 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3S)-3-propoxypiperidin-1-yl]ethanone

2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3S)-3-propoxypiperidin-1-yl]ethanone (PubChem CID 125172798) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3S)-3-propoxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3S)-3-propoxypiperidin-1-yl]ethanone
PubChem CID125172798
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3S)-3-propoxypiperidin-1-yl]ethanone
SMILESCCCO[C@H]1CCCN(C(=O)COCc2nc3ccc(F)cc3[nH]2)C1
InChIInChI=1S/C18H24FN3O3/c1-2-8-25-14-4-3-7-22(10-14)18(23)12-24-11-17-20-15-6-5-13(19)9-16(15)21-17/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyWFJYENOIPYLWLJ-AWEZNQCLSA-N
XLogP2.64
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3S)-3-propoxypiperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone
CID 118774627
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 96576705
(5S)-2-[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 95203926
methyl 2-[2-[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-2-oxoethoxy]acetate
CID 162852967
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
2-(1H-benzimidazol-2-ylmethoxy)-1-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 110119519
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone;bis(2,2,2-trifluoroacetic acid)
CID 154889381
[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-(3-propoxypiperidin-1-yl)methanone
CID 72859474
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]acetamide
CID 90649450
3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 74240102
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide
CID 131895763
1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 56820766

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3S)-3-propoxypiperidin-1-yl]ethanone?
The IUPAC name of 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3S)-3-propoxypiperidin-1-yl]ethanone (CID 125172798) is 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3S)-3-propoxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3S)-3-propoxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3S)-3-propoxypiperidin-1-yl]ethanone is CCCO[C@H]1CCCN(C(=O)COCc2nc3ccc(F)cc3[nH]2)C1.
What is the InChIKey of 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3S)-3-propoxypiperidin-1-yl]ethanone?
The InChIKey is WFJYENOIPYLWLJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-2-8-25-14-4-3-7-22(10-14)18(23)12-24-11-17-20-15-6-5-13(19)9-16(15)21-17/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3S)-3-propoxypiperidin-1-yl]ethanone?
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3S)-3-propoxypiperidin-1-yl]ethanone has a molecular weight of 349.41 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3S)-3-propoxypiperidin-1-yl]ethanone is sourced from PubChem (CID 125172798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).