1-[4-[3-[4-[1H-benzimidazol-2-yl(hydroxy)methyl]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone

C25H25N5O3 — CID 59351312

About 1-[4-[3-[4-[1H-benzimidazol-2-yl(hydroxy)methyl]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone

1-[4-[3-[4-[1H-benzimidazol-2-yl(hydroxy)methyl]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 59351312) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 1-[4-[3-[4-[1H-benzimidazol-2-yl(hydroxy)methyl]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[3-[4-[1H-benzimidazol-2-yl(hydroxy)methyl]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 59351312
• Molecular Formula: C25H25N5O3
• Molecular Weight: 443.51 g/mol
• Exact Mass: 443.20
• IUPAC Name: 1-[4-[3-[4-[1H-benzimidazol-2-yl(hydroxy)methyl]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(c2nccnc2Oc2ccc(C(O)c3nc4ccccc4[nH]3)cc2)CC1
• InChI: InChI=1S/C25H25N5O3/c1-16(31)30-14-10-17(11-15-30)22-25(27-13-12-26-22)33-19-8-6-18(7-9-19)23(32)24-28-20-4-2-3-5-21(20)29-24/h2-9,12-13,17,23,32H,10-11,14-15H2,1H3,(H,28,29)
• InChIKey: GGDCZBXCIWBJKS-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 104.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.51
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[4-[1H-benzimidazol-2-yl(hydroxy)methyl]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 1-[4-[3-[4-[1H-benzimidazol-2-yl(hydroxy)methyl]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone (CID 59351312) is 1-[4-[3-[4-[1H-benzimidazol-2-yl(hydroxy)methyl]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[3-[4-[1H-benzimidazol-2-yl(hydroxy)methyl]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[4-[3-[4-[1H-benzimidazol-2-yl(hydroxy)methyl]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nccnc2Oc2ccc(C(O)c3nc4ccccc4[nH]3)cc2)CC1.

What is the InChIKey of 1-[4-[3-[4-[1H-benzimidazol-2-yl(hydroxy)methyl]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone?

The InChIKey is GGDCZBXCIWBJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-16(31)30-14-10-17(11-15-30)22-25(27-13-12-26-22)33-19-8-6-18(7-9-19)23(32)24-28-20-4-2-3-5-21(20)29-24/h2-9,12-13,17,23,32H,10-11,14-15H2,1H3,(H,28,29).

What are the key properties of 1-[4-[3-[4-[1H-benzimidazol-2-yl(hydroxy)methyl]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone?

1-[4-[3-[4-[1H-benzimidazol-2-yl(hydroxy)methyl]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 443.51 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-[4-[1H-benzimidazol-2-yl(hydroxy)methyl]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 59351312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).