1H-benzimidazol-2-yl-[3-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]methanone

C20H22N6O3 — CID 58547909

IUPAC1H-benzimidazol-2-yl-[3-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(Oc2nccnc2N2CCC(O)CC2)C1
InChIInChI=1S/C20H22N6O3/c27-13-5-9-25(10-6-13)18-19(22-8-7-21-18)29-14-11-26(12-14)20(28)17-23-15-3-1-2-4-16(15)24-17/h1-4,7-8,13-14,27H,5-6,9-12H2,(H,23,24)
InChIKeyMYPVQAINIDNNIR-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.22
Rot. Bonds4

About 1H-benzimidazol-2-yl-[3-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]methanone

1H-benzimidazol-2-yl-[3-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]methanone (PubChem CID 58547909) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]methanone
PubChem CID58547909
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name1H-benzimidazol-2-yl-[3-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(Oc2nccnc2N2CCC(O)CC2)C1
InChIInChI=1S/C20H22N6O3/c27-13-5-9-25(10-6-13)18-19(22-8-7-21-18)29-14-11-26(12-14)20(28)17-23-15-3-1-2-4-16(15)24-17/h1-4,7-8,13-14,27H,5-6,9-12H2,(H,23,24)
InChIKeyMYPVQAINIDNNIR-UHFFFAOYSA-N
XLogP1.22
TPSA107.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[3-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]methanone (CID 58547909) is 1H-benzimidazol-2-yl-[3-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]methanone is O=C(c1nc2ccccc2[nH]1)N1CC(Oc2nccnc2N2CCC(O)CC2)C1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]methanone?
The InChIKey is MYPVQAINIDNNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c27-13-5-9-25(10-6-13)18-19(22-8-7-21-18)29-14-11-26(12-14)20(28)17-23-15-3-1-2-4-16(15)24-17/h1-4,7-8,13-14,27H,5-6,9-12H2,(H,23,24).
What are the key properties of 1H-benzimidazol-2-yl-[3-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]methanone has a molecular weight of 394.44 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[3-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]methanone is sourced from PubChem (CID 58547909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).