6-methoxy-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole

C14H13N3O2S — CID 13018818

IUPAC6-methoxy-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole
SMILESCOc1ccc2nc(S(=O)Cc3ccccn3)[nH]c2c1
InChIInChI=1S/C14H13N3O2S/c1-19-11-5-6-12-13(8-11)17-14(16-12)20(18)9-10-4-2-3-7-15-10/h2-8H,9H2,1H3,(H,16,17)
InChIKeyFHORRYRBKDSHNQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.27
Rot. Bonds4

About 6-methoxy-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole

6-methoxy-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole (PubChem CID 13018818) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 6-methoxy-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole
PubChem CID13018818
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name6-methoxy-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole
SMILESCOc1ccc2nc(S(=O)Cc3ccccn3)[nH]c2c1
InChIInChI=1S/C14H13N3O2S/c1-19-11-5-6-12-13(8-11)17-14(16-12)20(18)9-10-4-2-3-7-15-10/h2-8H,9H2,1H3,(H,16,17)
InChIKeyFHORRYRBKDSHNQ-UHFFFAOYSA-N
XLogP2.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole
CID 20518169
6-propan-2-yl-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole
CID 13018825
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylpyrimidin-4-amine
CID 14306142
methanol;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 174757832
magnesium;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;dichloride;dihydrate
CID 54576653
magnesium;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;dichloride;tetrahydrate
CID 54576863
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,3-trimethylaniline
CID 14578624
magnesium;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;trihydrate
CID 22712834
6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;phthalic acid
CID 67707184
6-methoxy-2-[(5-methyl-6-piperidin-1-ylpyrimidin-4-yl)methylsulfinyl]-1H-benzimidazole
CID 14306144
6-methoxy-1H-benzimidazole-2-sulfinate;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 158438190
[4-methoxy-6-[[(S)-(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-5-methyl-3-pyridinyl]methanol
CID 40507393

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole (CID 13018818) is 6-methoxy-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole is COc1ccc2nc(S(=O)Cc3ccccn3)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole?
The InChIKey is FHORRYRBKDSHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-19-11-5-6-12-13(8-11)17-14(16-12)20(18)9-10-4-2-3-7-15-10/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 6-methoxy-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole?
6-methoxy-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole has a molecular weight of 287.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole is sourced from PubChem (CID 13018818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).