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

C19H17F2N3O2 — CID 162954746

IUPAC[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CC(F)C(OCc2nc3ccc(F)cc3[nH]2)C1
InChIInChI=1S/C19H17F2N3O2/c20-13-6-7-15-16(8-13)23-18(22-15)11-26-17-10-24(9-14(17)21)19(25)12-4-2-1-3-5-12/h1-8,14,17H,9-11H2,(H,22,23)
InChIKeyYBSLQXRHDUPOIN-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.08
Rot. Bonds4

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

[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 162954746) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is [3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-phenylmethanone
PubChem CID162954746
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CC(F)C(OCc2nc3ccc(F)cc3[nH]2)C1
InChIInChI=1S/C19H17F2N3O2/c20-13-6-7-15-16(8-13)23-18(22-15)11-26-17-10-24(9-14(17)21)19(25)12-4-2-1-3-5-12/h1-8,14,17H,9-11H2,(H,22,23)
InChIKeyYBSLQXRHDUPOIN-UHFFFAOYSA-N
XLogP3.08
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(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
methyl 2-[2-[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-2-oxoethoxy]acetate
CID 162852967
methyl 2-[[(3S,4R)-4-fluoro-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]oxymethyl]-3H-benzimidazole-5-carboxylate
CID 75410523
2-[[4-fluoro-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]oxymethyl]-3H-benzimidazole-5-carbonitrile
CID 162798056
[(3S,4R)-3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 75410441
6-fluoro-2-[[(3S,4R)-4-fluoro-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-1H-benzimidazole
CID 75410638
N-[4-[[(3R,4S)-3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 75410644
4-[[3-fluoro-4-[(6-methoxycarbonyl-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]methyl]benzoic acid
CID 162798851
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 96576705
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone
CID 118774627
[(3S,4R)-3-(1,3-benzoxazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 75410416

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-phenylmethanone (CID 162954746) is [3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CC(F)C(OCc2nc3ccc(F)cc3[nH]2)C1.
What is the InChIKey of [3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is YBSLQXRHDUPOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c20-13-6-7-15-16(8-13)23-18(22-15)11-26-17-10-24(9-14(17)21)19(25)12-4-2-1-3-5-12/h1-8,14,17H,9-11H2,(H,22,23).
What are the key properties of [3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-phenylmethanone?
[3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 357.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 162954746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).