1H-benzimidazol-2-yl-[3-(3-morpholin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone

C19H20N6O3 — CID 58547838

IUPAC1H-benzimidazol-2-yl-[3-(3-morpholin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(Oc2nccnc2N2CCOCC2)C1
InChIInChI=1S/C19H20N6O3/c26-19(16-22-14-3-1-2-4-15(14)23-16)25-11-13(12-25)28-18-17(20-5-6-21-18)24-7-9-27-10-8-24/h1-6,13H,7-12H2,(H,22,23)
InChIKeyVQQODJHDNCQQAR-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.09
Rot. Bonds4

About 1H-benzimidazol-2-yl-[3-(3-morpholin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone

1H-benzimidazol-2-yl-[3-(3-morpholin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone (PubChem CID 58547838) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-(3-morpholin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-(3-morpholin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone
PubChem CID58547838
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name1H-benzimidazol-2-yl-[3-(3-morpholin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(Oc2nccnc2N2CCOCC2)C1
InChIInChI=1S/C19H20N6O3/c26-19(16-22-14-3-1-2-4-15(14)23-16)25-11-13(12-25)28-18-17(20-5-6-21-18)24-7-9-27-10-8-24/h1-6,13H,7-12H2,(H,22,23)
InChIKeyVQQODJHDNCQQAR-UHFFFAOYSA-N
XLogP1.09
TPSA96.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[3-(3-morpholin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-(3-morpholin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone (CID 58547838) is 1H-benzimidazol-2-yl-[3-(3-morpholin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-(3-morpholin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-(3-morpholin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone is O=C(c1nc2ccccc2[nH]1)N1CC(Oc2nccnc2N2CCOCC2)C1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-(3-morpholin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone?
The InChIKey is VQQODJHDNCQQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c26-19(16-22-14-3-1-2-4-15(14)23-16)25-11-13(12-25)28-18-17(20-5-6-21-18)24-7-9-27-10-8-24/h1-6,13H,7-12H2,(H,22,23).
What are the key properties of 1H-benzimidazol-2-yl-[3-(3-morpholin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-(3-morpholin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone has a molecular weight of 380.41 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[3-(3-morpholin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone is sourced from PubChem (CID 58547838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).