2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone

C18H19N5O — CID 127246094

IUPAC2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCCC(c2cnccn2)C1
InChIInChI=1S/C18H19N5O/c24-18(12-23-13-21-15-5-1-2-6-17(15)23)22-9-3-4-14(11-22)16-10-19-7-8-20-16/h1-2,5-8,10,13-14H,3-4,9,11-12H2
InChIKeyJLQLFCRYIBBHKT-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.23
Rot. Bonds3

About 2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone

2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone (PubChem CID 127246094) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone
PubChem CID127246094
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCCC(c2cnccn2)C1
InChIInChI=1S/C18H19N5O/c24-18(12-23-13-21-15-5-1-2-6-17(15)23)22-9-3-4-14(11-22)16-10-19-7-8-20-16/h1-2,5-8,10,13-14H,3-4,9,11-12H2
InChIKeyJLQLFCRYIBBHKT-UHFFFAOYSA-N
XLogP2.23
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzimidazol-1-yl)-1-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 99993760
2-(benzimidazol-1-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 110106026
2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161041
[(3R)-3-pyrazin-2-ylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 124964601
(3-pyrazin-2-ylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 127246090
2-(4-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]ethanone
CID 92563712
2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100637947
(E)-3-phenyl-1-(3-pyrazin-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 110102492
6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115127
2-(benzimidazol-1-yl)-1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122267933
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969
5,5-dimethyl-3-[2-oxo-2-(3-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 127246109

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone (CID 127246094) is 2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone is O=C(Cn1cnc2ccccc21)N1CCCC(c2cnccn2)C1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone?
The InChIKey is JLQLFCRYIBBHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-18(12-23-13-21-15-5-1-2-6-17(15)23)22-9-3-4-14(11-22)16-10-19-7-8-20-16/h1-2,5-8,10,13-14H,3-4,9,11-12H2.
What are the key properties of 2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone?
2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone has a molecular weight of 321.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 127246094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).