2-(benzimidazol-1-yl)-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone

C17H16FN5O2 — CID 129355815

IUPAC2-(benzimidazol-1-yl)-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CC[C@@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C17H16FN5O2/c18-12-7-19-17(20-8-12)25-13-5-6-22(9-13)16(24)10-23-11-21-14-3-1-2-4-15(14)23/h1-4,7-8,11,13H,5-6,9-10H2/t13-/m1/s1
InChIKeyPXWIEBPZVMAWRF-CYBMUJFWSA-N
MW341.35 g/mol
LogP1.65
Rot. Bonds4

About 2-(benzimidazol-1-yl)-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone

2-(benzimidazol-1-yl)-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone (PubChem CID 129355815) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
PubChem CID129355815
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name2-(benzimidazol-1-yl)-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CC[C@@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C17H16FN5O2/c18-12-7-19-17(20-8-12)25-13-5-6-22(9-13)16(24)10-23-11-21-14-3-1-2-4-15(14)23/h1-4,7-8,11,13H,5-6,9-10H2/t13-/m1/s1
InChIKeyPXWIEBPZVMAWRF-CYBMUJFWSA-N
XLogP1.65
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 119100380
2-(benzimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558579
2-(benzimidazol-1-yl)-1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122267933
2-(benzimidazol-1-yl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethanone
CID 121150531
2-benzylsulfanyl-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 129355253
2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161041
2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100637947
2-ethoxy-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 129354368
benzyl 3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxylate
CID 121017645
2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260170
1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 139023328
2-(1,2-benzoxazol-3-yl)-1-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 121017622

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone (CID 129355815) is 2-(benzimidazol-1-yl)-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone is O=C(Cn1cnc2ccccc21)N1CC[C@@H](Oc2ncc(F)cn2)C1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone?
The InChIKey is PXWIEBPZVMAWRF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16FN5O2/c18-12-7-19-17(20-8-12)25-13-5-6-22(9-13)16(24)10-23-11-21-14-3-1-2-4-15(14)23/h1-4,7-8,11,13H,5-6,9-10H2/t13-/m1/s1.
What are the key properties of 2-(benzimidazol-1-yl)-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone?
2-(benzimidazol-1-yl)-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone has a molecular weight of 341.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 129355815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).