2-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanol

C22H26N8O2 — CID 155542495

IUPAC2-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanol
SMILESCc1noc(-c2ccc3nc(Nc4cc(CN5CCN(CCO)CC5)ccn4)[nH]c3c2)n1
InChIInChI=1S/C22H26N8O2/c1-15-24-21(32-28-15)17-2-3-18-19(13-17)26-22(25-18)27-20-12-16(4-5-23-20)14-30-8-6-29(7-9-30)10-11-31/h2-5,12-13,31H,6-11,14H2,1H3,(H2,23,25,26,27)
InChIKeyMZFVFMLCVPBJFV-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.17
Rot. Bonds7

About 2-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanol

2-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanol (PubChem CID 155542495) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanol
PubChem CID155542495
Molecular FormulaC22H26N8O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC Name2-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanol
SMILESCc1noc(-c2ccc3nc(Nc4cc(CN5CCN(CCO)CC5)ccn4)[nH]c3c2)n1
InChIInChI=1S/C22H26N8O2/c1-15-24-21(32-28-15)17-2-3-18-19(13-17)26-22(25-18)27-20-12-16(4-5-23-20)14-30-8-6-29(7-9-30)10-11-31/h2-5,12-13,31H,6-11,14H2,1H3,(H2,23,25,26,27)
InChIKeyMZFVFMLCVPBJFV-UHFFFAOYSA-N
XLogP2.17
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanol (CID 155542495) is 2-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanol is Cc1noc(-c2ccc3nc(Nc4cc(CN5CCN(CCO)CC5)ccn4)[nH]c3c2)n1.
What is the InChIKey of 2-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanol?
The InChIKey is MZFVFMLCVPBJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O2/c1-15-24-21(32-28-15)17-2-3-18-19(13-17)26-22(25-18)27-20-12-16(4-5-23-20)14-30-8-6-29(7-9-30)10-11-31/h2-5,12-13,31H,6-11,14H2,1H3,(H2,23,25,26,27).
What are the key properties of 2-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanol?
2-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanol has a molecular weight of 434.50 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 155542495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).