6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole

C16H15F2N3O3S — CID 15163491

IUPAC6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
SMILESCOc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1C
InChIInChI=1S/C16H15F2N3O3S/c1-9-13(19-6-5-14(9)23-2)8-25(22)16-20-11-4-3-10(24-15(17)18)7-12(11)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
InChIKeyASWLZURXLWNOQA-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.18
Rot. Bonds6

About 6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole

6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole (PubChem CID 15163491) has the molecular formula C16H15F2N3O3S and a molecular weight of 367.38 g/mol. Its IUPAC name is 6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
PubChem CID15163491
Molecular FormulaC16H15F2N3O3S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC Name6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
SMILESCOc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1C
InChIInChI=1S/C16H15F2N3O3S/c1-9-13(19-6-5-14(9)23-2)8-25(22)16-20-11-4-3-10(24-15(17)18)7-12(11)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
InChIKeyASWLZURXLWNOQA-UHFFFAOYSA-N
XLogP3.18
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
The IUPAC name of 6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole (CID 15163491) is 6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole.
What is the SMILES notation for 6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
The canonical SMILES for 6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole is COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1C.
What is the InChIKey of 6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
The InChIKey is ASWLZURXLWNOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O3S/c1-9-13(19-6-5-14(9)23-2)8-25(22)16-20-11-4-3-10(24-15(17)18)7-12(11)21-16/h3-7,15H,8H2,1-2H3,(H,20,21).
What are the key properties of 6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole has a molecular weight of 367.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole is sourced from PubChem (CID 15163491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).