2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone

C18H19N5O2 — CID 122161041

IUPAC2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C18H19N5O2/c24-18(11-23-13-21-15-5-1-2-6-16(15)23)22-9-3-4-14(10-22)25-17-7-8-19-12-20-17/h1-2,5-8,12-14H,3-4,9-11H2
InChIKeyYPNLJWGGDWUKOK-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.90
Rot. Bonds4

About 2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone

2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone (PubChem CID 122161041) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
PubChem CID122161041
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C18H19N5O2/c24-18(11-23-13-21-15-5-1-2-6-16(15)23)22-9-3-4-14(10-22)25-17-7-8-19-12-20-17/h1-2,5-8,12-14H,3-4,9-11H2
InChIKeyYPNLJWGGDWUKOK-UHFFFAOYSA-N
XLogP1.90
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100637947
2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260170
2-(benzimidazol-1-yl)-1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122267933
2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122259749
5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one
CID 122259960
2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161052
3-[2-oxo-2-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethyl]quinazolin-4-one
CID 100644880
2-(benzimidazol-1-yl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethanone
CID 121150531
2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 127246094
2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161054
2-(benzimidazol-1-yl)-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 129355815
N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260044

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone (CID 122161041) is 2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone is O=C(Cn1cnc2ccccc21)N1CCCC(Oc2ccncn2)C1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The InChIKey is YPNLJWGGDWUKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-18(11-23-13-21-15-5-1-2-6-16(15)23)22-9-3-4-14(10-22)25-17-7-8-19-12-20-17/h1-2,5-8,12-14H,3-4,9-11H2.
What are the key properties of 2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone has a molecular weight of 337.38 g/mol, XLogP of 1.90, 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-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 122161041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).