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

C18H19N5O2 — CID 90558579

IUPAC2-(benzimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H19N5O2/c24-17(12-23-13-21-15-4-1-2-5-16(15)23)22-10-6-14(7-11-22)25-18-19-8-3-9-20-18/h1-5,8-9,13-14H,6-7,10-12H2
InChIKeyPIVLUGWJGJMUSO-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.90
Rot. Bonds4

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

2-(benzimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone (PubChem CID 90558579) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
PubChem CID90558579
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-(benzimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H19N5O2/c24-17(12-23-13-21-15-4-1-2-5-16(15)23)22-10-6-14(7-11-22)25-18-19-8-3-9-20-18/h1-5,8-9,13-14H,6-7,10-12H2
InChIKeyPIVLUGWJGJMUSO-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-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 129355815
2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
CID 90617825
2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
CID 121164964
2-(benzimidazol-1-yl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethanone
CID 121150531
2-(benzimidazol-1-yl)-1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122267933
3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 90558733
2-(benzimidazol-1-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 110106026
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
3-[2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 154583961
5-[1-[2-(benzimidazol-1-yl)acetyl]piperidin-4-yl]pyrazolidine-3-carboxamide
CID 164643695
2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257179

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone (CID 90558579) is 2-(benzimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone is O=C(Cn1cnc2ccccc21)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
The InChIKey is PIVLUGWJGJMUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-17(12-23-13-21-15-4-1-2-5-16(15)23)22-10-6-14(7-11-22)25-18-19-8-3-9-20-18/h1-5,8-9,13-14H,6-7,10-12H2.
What are the key properties of 2-(benzimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
2-(benzimidazol-1-yl)-1-(4-pyrimidin-2-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-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 90558579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).