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

C20H16N6O2 — CID 54669927

IUPAC1H-benzimidazol-2-yl-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(Oc2nccnc2-c2cccnc2)C1
InChIInChI=1S/C20H16N6O2/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/h1-10,14H,11-12H2,(H,24,25)
InChIKeyOSSYDCCMVFRLQQ-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.32
Rot. Bonds4

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

1H-benzimidazol-2-yl-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone (PubChem CID 54669927) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone
PubChem CID54669927
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name1H-benzimidazol-2-yl-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(Oc2nccnc2-c2cccnc2)C1
InChIInChI=1S/C20H16N6O2/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/h1-10,14H,11-12H2,(H,24,25)
InChIKeyOSSYDCCMVFRLQQ-UHFFFAOYSA-N
XLogP2.32
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone (CID 54669927) is 1H-benzimidazol-2-yl-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone is O=C(c1nc2ccccc2[nH]1)N1CC(Oc2nccnc2-c2cccnc2)C1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone?
The InChIKey is OSSYDCCMVFRLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/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/h1-10,14H,11-12H2,(H,24,25).
What are the key properties of 1H-benzimidazol-2-yl-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone has a molecular weight of 372.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone is sourced from PubChem (CID 54669927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).