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

C25H25N5O4S — CID 46226704

IUPAC1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-3-methylimidazolidin-2-one
SMILESCCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CN2CCN(C)C2=O)cc1
InChIInChI=1S/C25H25N5O4S/c1-3-35(32,33)19-9-7-18(8-10-19)34-23-15-22-21(27-24(28-22)20-6-4-5-11-26-20)14-17(23)16-30-13-12-29(2)25(30)31/h4-11,14-15H,3,12-13,16H2,1-2H3,(H,27,28)
InChIKeyXBEFXEPSOIGYMK-UHFFFAOYSA-N
MW491.57 g/mol
LogP4.08
Rot. Bonds7

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

1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-3-methylimidazolidin-2-one (PubChem CID 46226704) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is 1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-3-methylimidazolidin-2-one
PubChem CID46226704
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC Name1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-3-methylimidazolidin-2-one
SMILESCCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CN2CCN(C)C2=O)cc1
InChIInChI=1S/C25H25N5O4S/c1-3-35(32,33)19-9-7-18(8-10-19)34-23-15-22-21(27-24(28-22)20-6-4-5-11-26-20)14-17(23)16-30-13-12-29(2)25(30)31/h4-11,14-15H,3,12-13,16H2,1-2H3,(H,27,28)
InChIKeyXBEFXEPSOIGYMK-UHFFFAOYSA-N
XLogP4.08
TPSA108.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-3-methylimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-3-methylimidazolidin-2-one (CID 46226704) is 1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-3-methylimidazolidin-2-one is CCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CN2CCN(C)C2=O)cc1.
What is the InChIKey of 1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-3-methylimidazolidin-2-one?
The InChIKey is XBEFXEPSOIGYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c1-3-35(32,33)19-9-7-18(8-10-19)34-23-15-22-21(27-24(28-22)20-6-4-5-11-26-20)14-17(23)16-30-13-12-29(2)25(30)31/h4-11,14-15H,3,12-13,16H2,1-2H3,(H,27,28).
What are the key properties of 1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-3-methylimidazolidin-2-one?
1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-3-methylimidazolidin-2-one has a molecular weight of 491.57 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 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]-3-methylimidazolidin-2-one is sourced from PubChem (CID 46226704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).