6-(difluoromethoxy)-2-[(R)-(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole

C16H15F2N3O4S — CID 11181988

IUPAC6-(difluoromethoxy)-2-[(R)-(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
SMILESCOc1ccnc(C[S@@](=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC
InChIInChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)/t26-/m1/s1
InChIKeyIQPSEEYGBUAQFF-AREMUKBSSA-N
MW383.38 g/mol
LogP2.88
Rot. Bonds7

About 6-(difluoromethoxy)-2-[(R)-(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole

6-(difluoromethoxy)-2-[(R)-(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole (PubChem CID 11181988) has the molecular formula C16H15F2N3O4S and a molecular weight of 383.38 g/mol. Its IUPAC name is 6-(difluoromethoxy)-2-[(R)-(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(difluoromethoxy)-2-[(R)-(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
PubChem CID11181988
Molecular FormulaC16H15F2N3O4S
Molecular Weight383.38 g/mol
Exact Mass383.08
IUPAC Name6-(difluoromethoxy)-2-[(R)-(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
SMILESCOc1ccnc(C[S@@](=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC
InChIInChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)/t26-/m1/s1
InChIKeyIQPSEEYGBUAQFF-AREMUKBSSA-N
XLogP2.88
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-2-[(R)-(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
The IUPAC name of 6-(difluoromethoxy)-2-[(R)-(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole (CID 11181988) is 6-(difluoromethoxy)-2-[(R)-(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole.
What is the SMILES notation for 6-(difluoromethoxy)-2-[(R)-(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
The canonical SMILES for 6-(difluoromethoxy)-2-[(R)-(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole is COc1ccnc(C[S@@](=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC.
What is the InChIKey of 6-(difluoromethoxy)-2-[(R)-(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
The InChIKey is IQPSEEYGBUAQFF-AREMUKBSSA-N. The full InChI is InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)/t26-/m1/s1.
What are the key properties of 6-(difluoromethoxy)-2-[(R)-(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
6-(difluoromethoxy)-2-[(R)-(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole has a molecular weight of 383.38 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-2-[(R)-(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole is sourced from PubChem (CID 11181988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).