1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one

C24H23N5O4S — CID 46226705

IUPAC1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one
SMILESCCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CN2CCNC2=O)cc1
InChIInChI=1S/C24H23N5O4S/c1-2-34(31,32)18-8-6-17(7-9-18)33-22-14-21-20(13-16(22)15-29-12-11-26-24(29)30)27-23(28-21)19-5-3-4-10-25-19/h3-10,13-14H,2,11-12,15H2,1H3,(H,26,30)(H,27,28)
InChIKeyRECUUWFFODZMMM-UHFFFAOYSA-N
MW477.55 g/mol
LogP3.74
Rot. Bonds7

About 1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one

1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one (PubChem CID 46226705) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is 1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one
PubChem CID46226705
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC Name1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one
SMILESCCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CN2CCNC2=O)cc1
InChIInChI=1S/C24H23N5O4S/c1-2-34(31,32)18-8-6-17(7-9-18)33-22-14-21-20(13-16(22)15-29-12-11-26-24(29)30)27-23(28-21)19-5-3-4-10-25-19/h3-10,13-14H,2,11-12,15H2,1H3,(H,26,30)(H,27,28)
InChIKeyRECUUWFFODZMMM-UHFFFAOYSA-N
XLogP3.74
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one (CID 46226705) is 1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one is CCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CN2CCNC2=O)cc1.
What is the InChIKey of 1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one?
The InChIKey is RECUUWFFODZMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-2-34(31,32)18-8-6-17(7-9-18)33-22-14-21-20(13-16(22)15-29-12-11-26-24(29)30)27-23(28-21)19-5-3-4-10-25-19/h3-10,13-14H,2,11-12,15H2,1H3,(H,26,30)(H,27,28).
What are the key properties of 1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one?
1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one has a molecular weight of 477.55 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one is sourced from PubChem (CID 46226705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).