[4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]piperazin-1-yl]-phenylmethanone

C26H27N5O2 — CID 130317673

IUPAC[4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]piperazin-1-yl]-phenylmethanone
SMILESCc1ccc2nc(-c3ccc(OCCN4CCN(C(=O)c5ccccc5)CC4)cn3)[nH]c2c1
InChIInChI=1S/C26H27N5O2/c1-19-7-9-22-24(17-19)29-25(28-22)23-10-8-21(18-27-23)33-16-15-30-11-13-31(14-12-30)26(32)20-5-3-2-4-6-20/h2-10,17-18H,11-16H2,1H3,(H,28,29)
InChIKeyZDHMBERMZAPVOG-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.77
Rot. Bonds6

About [4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]piperazin-1-yl]-phenylmethanone

[4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]piperazin-1-yl]-phenylmethanone (PubChem CID 130317673) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is [4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]piperazin-1-yl]-phenylmethanone
PubChem CID130317673
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name[4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]piperazin-1-yl]-phenylmethanone
SMILESCc1ccc2nc(-c3ccc(OCCN4CCN(C(=O)c5ccccc5)CC4)cn3)[nH]c2c1
InChIInChI=1S/C26H27N5O2/c1-19-7-9-22-24(17-19)29-25(28-22)23-10-8-21(18-27-23)33-16-15-30-11-13-31(14-12-30)26(32)20-5-3-2-4-6-20/h2-10,17-18H,11-16H2,1H3,(H,28,29)
InChIKeyZDHMBERMZAPVOG-UHFFFAOYSA-N
XLogP3.77
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]piperazin-1-yl]-phenylmethanone (CID 130317673) is [4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]piperazin-1-yl]-phenylmethanone is Cc1ccc2nc(-c3ccc(OCCN4CCN(C(=O)c5ccccc5)CC4)cn3)[nH]c2c1.
What is the InChIKey of [4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is ZDHMBERMZAPVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-19-7-9-22-24(17-19)29-25(28-22)23-10-8-21(18-27-23)33-16-15-30-11-13-31(14-12-30)26(32)20-5-3-2-4-6-20/h2-10,17-18H,11-16H2,1H3,(H,28,29).
What are the key properties of [4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]piperazin-1-yl]-phenylmethanone?
[4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 441.54 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 130317673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).