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

C21H18N6O2 — CID 54669925

IUPAC1H-benzimidazol-2-yl-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]methanone
SMILESCc1cc(-c2nccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)ccn1
InChIInChI=1S/C21H18N6O2/c1-13-10-14(6-7-22-13)18-20(24-9-8-23-18)29-15-11-27(12-15)21(28)19-25-16-4-2-3-5-17(16)26-19/h2-10,15H,11-12H2,1H3,(H,25,26)
InChIKeyOFBPPCCRWWNETG-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.63
Rot. Bonds4

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

1H-benzimidazol-2-yl-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]methanone (PubChem CID 54669925) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]methanone
PubChem CID54669925
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name1H-benzimidazol-2-yl-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]methanone
SMILESCc1cc(-c2nccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)ccn1
InChIInChI=1S/C21H18N6O2/c1-13-10-14(6-7-22-13)18-20(24-9-8-23-18)29-15-11-27(12-15)21(28)19-25-16-4-2-3-5-17(16)26-19/h2-10,15H,11-12H2,1H3,(H,25,26)
InChIKeyOFBPPCCRWWNETG-UHFFFAOYSA-N
XLogP2.63
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.63
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-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]methanone (CID 54669925) is 1H-benzimidazol-2-yl-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]methanone is Cc1cc(-c2nccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)ccn1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]methanone?
The InChIKey is OFBPPCCRWWNETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-13-10-14(6-7-22-13)18-20(24-9-8-23-18)29-15-11-27(12-15)21(28)19-25-16-4-2-3-5-17(16)26-19/h2-10,15H,11-12H2,1H3,(H,25,26).
What are the key properties of 1H-benzimidazol-2-yl-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]methanone has a molecular weight of 386.42 g/mol, XLogP of 2.63, 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-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]methanone is sourced from PubChem (CID 54669925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).