N-methyl-2-[4-[[6-(5-oxooxolan-2-yl)-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]phenyl]acetamide

C25H22N4O4 — CID 46180879

IUPACN-methyl-2-[4-[[6-(5-oxooxolan-2-yl)-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]phenyl]acetamide
SMILESCNC(=O)Cc1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2C2CCC(=O)O2)cc1
InChIInChI=1S/C25H22N4O4/c1-26-23(30)12-15-5-7-16(8-6-15)32-22-14-20-19(13-17(22)21-9-10-24(31)33-21)28-25(29-20)18-4-2-3-11-27-18/h2-8,11,13-14,21H,9-10,12H2,1H3,(H,26,30)(H,28,29)
InChIKeyCZEYJAPUWWYQAU-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.08
Rot. Bonds6

About N-methyl-2-[4-[[6-(5-oxooxolan-2-yl)-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]phenyl]acetamide

N-methyl-2-[4-[[6-(5-oxooxolan-2-yl)-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]phenyl]acetamide (PubChem CID 46180879) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-methyl-2-[4-[[6-(5-oxooxolan-2-yl)-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[[6-(5-oxooxolan-2-yl)-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]phenyl]acetamide
PubChem CID46180879
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC NameN-methyl-2-[4-[[6-(5-oxooxolan-2-yl)-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]phenyl]acetamide
SMILESCNC(=O)Cc1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2C2CCC(=O)O2)cc1
InChIInChI=1S/C25H22N4O4/c1-26-23(30)12-15-5-7-16(8-6-15)32-22-14-20-19(13-17(22)21-9-10-24(31)33-21)28-25(29-20)18-4-2-3-11-27-18/h2-8,11,13-14,21H,9-10,12H2,1H3,(H,26,30)(H,28,29)
InChIKeyCZEYJAPUWWYQAU-UHFFFAOYSA-N
XLogP4.08
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[6-(5-oxooxolan-2-yl)-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]phenyl]acetamide?
The IUPAC name of N-methyl-2-[4-[[6-(5-oxooxolan-2-yl)-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]phenyl]acetamide (CID 46180879) is N-methyl-2-[4-[[6-(5-oxooxolan-2-yl)-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]phenyl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[[6-(5-oxooxolan-2-yl)-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]phenyl]acetamide?
The canonical SMILES for N-methyl-2-[4-[[6-(5-oxooxolan-2-yl)-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]phenyl]acetamide is CNC(=O)Cc1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2C2CCC(=O)O2)cc1.
What is the InChIKey of N-methyl-2-[4-[[6-(5-oxooxolan-2-yl)-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]phenyl]acetamide?
The InChIKey is CZEYJAPUWWYQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-26-23(30)12-15-5-7-16(8-6-15)32-22-14-20-19(13-17(22)21-9-10-24(31)33-21)28-25(29-20)18-4-2-3-11-27-18/h2-8,11,13-14,21H,9-10,12H2,1H3,(H,26,30)(H,28,29).
What are the key properties of N-methyl-2-[4-[[6-(5-oxooxolan-2-yl)-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]phenyl]acetamide?
N-methyl-2-[4-[[6-(5-oxooxolan-2-yl)-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]phenyl]acetamide has a molecular weight of 442.48 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[6-(5-oxooxolan-2-yl)-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]phenyl]acetamide is sourced from PubChem (CID 46180879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).