6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole

C20H17N3O2S — CID 70697155

IUPAC6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole
SMILESCCS(=O)(=O)c1ccc2nc(-c3ccnc(-c4ccccc4)c3)[nH]c2c1
InChIInChI=1S/C20H17N3O2S/c1-2-26(24,25)16-8-9-17-19(13-16)23-20(22-17)15-10-11-21-18(12-15)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23)
InChIKeyWYLTXXROXQGYPA-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.09
Rot. Bonds4

About 6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole

6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole (PubChem CID 70697155) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole
PubChem CID70697155
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole
SMILESCCS(=O)(=O)c1ccc2nc(-c3ccnc(-c4ccccc4)c3)[nH]c2c1
InChIInChI=1S/C20H17N3O2S/c1-2-26(24,25)16-8-9-17-19(13-16)23-20(22-17)15-10-11-21-18(12-15)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23)
InChIKeyWYLTXXROXQGYPA-UHFFFAOYSA-N
XLogP4.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole?
The IUPAC name of 6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole (CID 70697155) is 6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole is CCS(=O)(=O)c1ccc2nc(-c3ccnc(-c4ccccc4)c3)[nH]c2c1.
What is the InChIKey of 6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole?
The InChIKey is WYLTXXROXQGYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-2-26(24,25)16-8-9-17-19(13-16)23-20(22-17)15-10-11-21-18(12-15)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23).
What are the key properties of 6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole?
6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole has a molecular weight of 363.44 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 70697155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).