2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone

C18H19N5O2 — CID 100637947

IUPAC2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCC[C@@H](Oc2cccnn2)C1
InChIInChI=1S/C18H19N5O2/c24-18(12-23-13-19-15-6-1-2-7-16(15)23)22-10-4-5-14(11-22)25-17-8-3-9-20-21-17/h1-3,6-9,13-14H,4-5,10-12H2/t14-/m1/s1
InChIKeyNKPITMVZZGSYTK-CQSZACIVSA-N
MW337.38 g/mol
LogP1.90
Rot. Bonds4

About 2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone

2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone (PubChem CID 100637947) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
PubChem CID100637947
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCC[C@@H](Oc2cccnn2)C1
InChIInChI=1S/C18H19N5O2/c24-18(12-23-13-19-15-6-1-2-7-16(15)23)22-10-4-5-14(11-22)25-17-8-3-9-20-21-17/h1-3,6-9,13-14H,4-5,10-12H2/t14-/m1/s1
InChIKeyNKPITMVZZGSYTK-CQSZACIVSA-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-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161041
2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260170
2-indol-1-yl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone
CID 100620079
2-(benzimidazol-1-yl)-1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122267933
2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100638394
N-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide
CID 91627690
2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone
CID 91627663
2-(benzimidazol-1-yl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethanone
CID 121150531
1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 91627703
2-(benzimidazol-1-yl)-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 129355815
3-[2-oxo-2-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethyl]quinazolin-4-one
CID 100644880
2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 127246094

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone (CID 100637947) is 2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone is O=C(Cn1cnc2ccccc21)N1CCC[C@@H](Oc2cccnn2)C1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone?
The InChIKey is NKPITMVZZGSYTK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-18(12-23-13-19-15-6-1-2-7-16(15)23)22-10-4-5-14(11-22)25-17-8-3-9-20-21-17/h1-3,6-9,13-14H,4-5,10-12H2/t14-/m1/s1.
What are the key properties of 2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone?
2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-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-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone is sourced from PubChem (CID 100637947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).