6-ethylsulfonyl-2-[(5-phenyl-2-pyridinyl)oxy]-1H-benzimidazole

C20H17N3O3S — CID 71519167

IUPAC6-ethylsulfonyl-2-[(5-phenyl-2-pyridinyl)oxy]-1H-benzimidazole
SMILESCCS(=O)(=O)c1ccc2nc(Oc3ccc(-c4ccccc4)cn3)[nH]c2c1
InChIInChI=1S/C20H17N3O3S/c1-2-27(24,25)16-9-10-17-18(12-16)23-20(22-17)26-19-11-8-15(13-21-19)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23)
InChIKeyDGDJDPOOTYPSCP-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.21
Rot. Bonds5

About 6-ethylsulfonyl-2-[(5-phenyl-2-pyridinyl)oxy]-1H-benzimidazole

6-ethylsulfonyl-2-[(5-phenyl-2-pyridinyl)oxy]-1H-benzimidazole (PubChem CID 71519167) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 6-ethylsulfonyl-2-[(5-phenyl-2-pyridinyl)oxy]-1H-benzimidazole.

Molecular Properties

Compound Name6-ethylsulfonyl-2-[(5-phenyl-2-pyridinyl)oxy]-1H-benzimidazole
PubChem CID71519167
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name6-ethylsulfonyl-2-[(5-phenyl-2-pyridinyl)oxy]-1H-benzimidazole
SMILESCCS(=O)(=O)c1ccc2nc(Oc3ccc(-c4ccccc4)cn3)[nH]c2c1
InChIInChI=1S/C20H17N3O3S/c1-2-27(24,25)16-9-10-17-18(12-16)23-20(22-17)26-19-11-8-15(13-21-19)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23)
InChIKeyDGDJDPOOTYPSCP-UHFFFAOYSA-N
XLogP4.21
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-2-[(5-phenyl-2-pyridinyl)oxy]-1H-benzimidazole?
The IUPAC name of 6-ethylsulfonyl-2-[(5-phenyl-2-pyridinyl)oxy]-1H-benzimidazole (CID 71519167) is 6-ethylsulfonyl-2-[(5-phenyl-2-pyridinyl)oxy]-1H-benzimidazole.
What is the SMILES notation for 6-ethylsulfonyl-2-[(5-phenyl-2-pyridinyl)oxy]-1H-benzimidazole?
The canonical SMILES for 6-ethylsulfonyl-2-[(5-phenyl-2-pyridinyl)oxy]-1H-benzimidazole is CCS(=O)(=O)c1ccc2nc(Oc3ccc(-c4ccccc4)cn3)[nH]c2c1.
What is the InChIKey of 6-ethylsulfonyl-2-[(5-phenyl-2-pyridinyl)oxy]-1H-benzimidazole?
The InChIKey is DGDJDPOOTYPSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-2-27(24,25)16-9-10-17-18(12-16)23-20(22-17)26-19-11-8-15(13-21-19)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23).
What are the key properties of 6-ethylsulfonyl-2-[(5-phenyl-2-pyridinyl)oxy]-1H-benzimidazole?
6-ethylsulfonyl-2-[(5-phenyl-2-pyridinyl)oxy]-1H-benzimidazole has a molecular weight of 379.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-2-[(5-phenyl-2-pyridinyl)oxy]-1H-benzimidazole is sourced from PubChem (CID 71519167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).