1H-benzimidazol-2-yl-[3-(3-piperidin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone

C20H22N6O2 — CID 58547935

IUPAC1H-benzimidazol-2-yl-[3-(3-piperidin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(Oc2nccnc2C2CCCNC2)C1
InChIInChI=1S/C20H22N6O2/c27-20(18-24-15-5-1-2-6-16(15)25-18)26-11-14(12-26)28-19-17(22-8-9-23-19)13-4-3-7-21-10-13/h1-2,5-6,8-9,13-14,21H,3-4,7,10-12H2,(H,24,25)
InChIKeyCFQCYNDFRJQRNE-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.72
Rot. Bonds4

About 1H-benzimidazol-2-yl-[3-(3-piperidin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone

1H-benzimidazol-2-yl-[3-(3-piperidin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone (PubChem CID 58547935) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-(3-piperidin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-(3-piperidin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone
PubChem CID58547935
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name1H-benzimidazol-2-yl-[3-(3-piperidin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(Oc2nccnc2C2CCCNC2)C1
InChIInChI=1S/C20H22N6O2/c27-20(18-24-15-5-1-2-6-16(15)25-18)26-11-14(12-26)28-19-17(22-8-9-23-19)13-4-3-7-21-10-13/h1-2,5-6,8-9,13-14,21H,3-4,7,10-12H2,(H,24,25)
InChIKeyCFQCYNDFRJQRNE-UHFFFAOYSA-N
XLogP1.72
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone
CID 58546995
1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 67477462
1H-benzimidazol-2-yl-[3-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone
CID 58547127
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CID 58547040
1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone
CID 167892131
1H-benzimidazol-2-yl-[3-[3-(5-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone
CID 58547101
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
1H-benzimidazol-2-yl-[4-[3-(1-hydroxyazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 71080373
1H-benzimidazol-2-yl(piperidin-1-yl)methanone
CID 12620216
2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride
CID 131870823
3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one
CID 86694189
1H-benzimidazol-2-yl-[4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 58547341

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[3-(3-piperidin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-(3-piperidin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone (CID 58547935) is 1H-benzimidazol-2-yl-[3-(3-piperidin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-(3-piperidin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-(3-piperidin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone is O=C(c1nc2ccccc2[nH]1)N1CC(Oc2nccnc2C2CCCNC2)C1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-(3-piperidin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone?
The InChIKey is CFQCYNDFRJQRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c27-20(18-24-15-5-1-2-6-16(15)25-18)26-11-14(12-26)28-19-17(22-8-9-23-19)13-4-3-7-21-10-13/h1-2,5-6,8-9,13-14,21H,3-4,7,10-12H2,(H,24,25).
What are the key properties of 1H-benzimidazol-2-yl-[3-(3-piperidin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-(3-piperidin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone has a molecular weight of 378.44 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[3-(3-piperidin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone is sourced from PubChem (CID 58547935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).