2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone

C20H23N5O2 — CID 122260170

IUPAC2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
SMILESCc1cc(OC2CCCN(C(=O)Cn3cnc4ccccc43)C2)nc(C)n1
InChIInChI=1S/C20H23N5O2/c1-14-10-19(23-15(2)22-14)27-16-6-5-9-24(11-16)20(26)12-25-13-21-17-7-3-4-8-18(17)25/h3-4,7-8,10,13,16H,5-6,9,11-12H2,1-2H3
InChIKeyMJMAAANCZSKNBM-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.51
Rot. Bonds4

About 2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone

2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone (PubChem CID 122260170) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
PubChem CID122260170
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
SMILESCc1cc(OC2CCCN(C(=O)Cn3cnc4ccccc43)C2)nc(C)n1
InChIInChI=1S/C20H23N5O2/c1-14-10-19(23-15(2)22-14)27-16-6-5-9-24(11-16)20(26)12-25-13-21-17-7-3-4-8-18(17)25/h3-4,7-8,10,13,16H,5-6,9,11-12H2,1-2H3
InChIKeyMJMAAANCZSKNBM-UHFFFAOYSA-N
XLogP2.51
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone
CID 122161113
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrrol-1-ylethanone
CID 122260410
2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100637947
2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161041
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one
CID 122260320
2-(benzimidazol-1-yl)-1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122267933
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 122161131
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 122260188
2-(4-chlorophenoxy)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260293
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 122260311
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone
CID 122260319
3-(2,6-dimethylpyrimidin-4-yl)oxy-N,N-diethylpiperidine-1-carboxamide
CID 122260550

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone (CID 122260170) is 2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone is Cc1cc(OC2CCCN(C(=O)Cn3cnc4ccccc43)C2)nc(C)n1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone?
The InChIKey is MJMAAANCZSKNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-10-19(23-15(2)22-14)27-16-6-5-9-24(11-16)20(26)12-25-13-21-17-7-3-4-8-18(17)25/h3-4,7-8,10,13,16H,5-6,9,11-12H2,1-2H3.
What are the key properties of 2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone?
2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone has a molecular weight of 365.44 g/mol, XLogP of 2.51, 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-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 122260170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).