5-(4-ethylsulfonylphenoxy)-6-(pyrazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole

C24H21N5O3S — CID 57433583

IUPAC5-(4-ethylsulfonylphenoxy)-6-(pyrazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole
SMILESCCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2Cn2cccn2)cc1
InChIInChI=1S/C24H21N5O3S/c1-2-33(30,31)19-9-7-18(8-10-19)32-23-15-22-21(14-17(23)16-29-13-5-12-26-29)27-24(28-22)20-6-3-4-11-25-20/h3-15H,2,16H2,1H3,(H,27,28)
InChIKeyODNOKIINMNFNAZ-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.46
Rot. Bonds7

About 5-(4-ethylsulfonylphenoxy)-6-(pyrazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole

5-(4-ethylsulfonylphenoxy)-6-(pyrazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole (PubChem CID 57433583) has the molecular formula C24H21N5O3S and a molecular weight of 459.53 g/mol. Its IUPAC name is 5-(4-ethylsulfonylphenoxy)-6-(pyrazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name5-(4-ethylsulfonylphenoxy)-6-(pyrazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole
PubChem CID57433583
Molecular FormulaC24H21N5O3S
Molecular Weight459.53 g/mol
Exact Mass459.14
IUPAC Name5-(4-ethylsulfonylphenoxy)-6-(pyrazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole
SMILESCCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2Cn2cccn2)cc1
InChIInChI=1S/C24H21N5O3S/c1-2-33(30,31)19-9-7-18(8-10-19)32-23-15-22-21(14-17(23)16-29-13-5-12-26-29)27-24(28-22)20-6-3-4-11-25-20/h3-15H,2,16H2,1H3,(H,27,28)
InChIKeyODNOKIINMNFNAZ-UHFFFAOYSA-N
XLogP4.46
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-ethylsulfonylphenoxy)-6-(pyrazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole 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 5-(4-ethylsulfonylphenoxy)-6-(pyrazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole?
The IUPAC name of 5-(4-ethylsulfonylphenoxy)-6-(pyrazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole (CID 57433583) is 5-(4-ethylsulfonylphenoxy)-6-(pyrazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole.
What is the SMILES notation for 5-(4-ethylsulfonylphenoxy)-6-(pyrazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole?
The canonical SMILES for 5-(4-ethylsulfonylphenoxy)-6-(pyrazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole is CCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2Cn2cccn2)cc1.
What is the InChIKey of 5-(4-ethylsulfonylphenoxy)-6-(pyrazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole?
The InChIKey is ODNOKIINMNFNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S/c1-2-33(30,31)19-9-7-18(8-10-19)32-23-15-22-21(14-17(23)16-29-13-5-12-26-29)27-24(28-22)20-6-3-4-11-25-20/h3-15H,2,16H2,1H3,(H,27,28).
What are the key properties of 5-(4-ethylsulfonylphenoxy)-6-(pyrazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole?
5-(4-ethylsulfonylphenoxy)-6-(pyrazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole has a molecular weight of 459.53 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylsulfonylphenoxy)-6-(pyrazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole is sourced from PubChem (CID 57433583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).