1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxypiperidin-1-yl]methanone

C22H20N6O2 — CID 58547982

IUPAC1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxypiperidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CCC(Oc2nccnc2-c2ccncc2)CC1
InChIInChI=1S/C22H20N6O2/c29-22(20-26-17-3-1-2-4-18(17)27-20)28-13-7-16(8-14-28)30-21-19(24-11-12-25-21)15-5-9-23-10-6-15/h1-6,9-12,16H,7-8,13-14H2,(H,26,27)
InChIKeyJFXISEXBJMKVRM-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.10
Rot. Bonds4

About 1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxypiperidin-1-yl]methanone

1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxypiperidin-1-yl]methanone (PubChem CID 58547982) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxypiperidin-1-yl]methanone
PubChem CID58547982
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxypiperidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CCC(Oc2nccnc2-c2ccncc2)CC1
InChIInChI=1S/C22H20N6O2/c29-22(20-26-17-3-1-2-4-18(17)27-20)28-13-7-16(8-14-28)30-21-19(24-11-12-25-21)15-5-9-23-10-6-15/h1-6,9-12,16H,7-8,13-14H2,(H,26,27)
InChIKeyJFXISEXBJMKVRM-UHFFFAOYSA-N
XLogP3.10
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.10
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-[4-(3-pyridin-4-ylpyrazin-2-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxypiperidin-1-yl]methanone (CID 58547982) is 1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxypiperidin-1-yl]methanone is O=C(c1nc2ccccc2[nH]1)N1CCC(Oc2nccnc2-c2ccncc2)CC1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxypiperidin-1-yl]methanone?
The InChIKey is JFXISEXBJMKVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c29-22(20-26-17-3-1-2-4-18(17)27-20)28-13-7-16(8-14-28)30-21-19(24-11-12-25-21)15-5-9-23-10-6-15/h1-6,9-12,16H,7-8,13-14H2,(H,26,27).
What are the key properties of 1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxypiperidin-1-yl]methanone?
1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxypiperidin-1-yl]methanone has a molecular weight of 400.44 g/mol, XLogP of 3.10, 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-[4-(3-pyridin-4-ylpyrazin-2-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 58547982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).