1-ethylsulfonyl-4-(4-methoxy-3-pyridinyl)benzimidazole

C15H15N3O3S — CID 56952131

IUPAC1-ethylsulfonyl-4-(4-methoxy-3-pyridinyl)benzimidazole
SMILESCCS(=O)(=O)n1cnc2c(-c3cnccc3OC)cccc21
InChIInChI=1S/C15H15N3O3S/c1-3-22(19,20)18-10-17-15-11(5-4-6-13(15)18)12-9-16-8-7-14(12)21-2/h4-10H,3H2,1-2H3
InChIKeyGMLLYJTXTXJCDI-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.30
Rot. Bonds4

About 1-ethylsulfonyl-4-(4-methoxy-3-pyridinyl)benzimidazole

1-ethylsulfonyl-4-(4-methoxy-3-pyridinyl)benzimidazole (PubChem CID 56952131) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-(4-methoxy-3-pyridinyl)benzimidazole.

Molecular Properties

Compound Name1-ethylsulfonyl-4-(4-methoxy-3-pyridinyl)benzimidazole
PubChem CID56952131
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name1-ethylsulfonyl-4-(4-methoxy-3-pyridinyl)benzimidazole
SMILESCCS(=O)(=O)n1cnc2c(-c3cnccc3OC)cccc21
InChIInChI=1S/C15H15N3O3S/c1-3-22(19,20)18-10-17-15-11(5-4-6-13(15)18)12-9-16-8-7-14(12)21-2/h4-10H,3H2,1-2H3
InChIKeyGMLLYJTXTXJCDI-UHFFFAOYSA-N
XLogP2.30
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-(4-methoxy-3-pyridinyl)benzimidazole?
The IUPAC name of 1-ethylsulfonyl-4-(4-methoxy-3-pyridinyl)benzimidazole (CID 56952131) is 1-ethylsulfonyl-4-(4-methoxy-3-pyridinyl)benzimidazole.
What is the SMILES notation for 1-ethylsulfonyl-4-(4-methoxy-3-pyridinyl)benzimidazole?
The canonical SMILES for 1-ethylsulfonyl-4-(4-methoxy-3-pyridinyl)benzimidazole is CCS(=O)(=O)n1cnc2c(-c3cnccc3OC)cccc21.
What is the InChIKey of 1-ethylsulfonyl-4-(4-methoxy-3-pyridinyl)benzimidazole?
The InChIKey is GMLLYJTXTXJCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-3-22(19,20)18-10-17-15-11(5-4-6-13(15)18)12-9-16-8-7-14(12)21-2/h4-10H,3H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-4-(4-methoxy-3-pyridinyl)benzimidazole?
1-ethylsulfonyl-4-(4-methoxy-3-pyridinyl)benzimidazole has a molecular weight of 317.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-(4-methoxy-3-pyridinyl)benzimidazole is sourced from PubChem (CID 56952131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).