1-(pyridin-2-ylmethylsulfinyl)benzimidazole

C13H11N3OS — CID 22479289

IUPAC1-(pyridin-2-ylmethylsulfinyl)benzimidazole
SMILESO=S(Cc1ccccn1)n1cnc2ccccc21
InChIInChI=1S/C13H11N3OS/c17-18(9-11-5-3-4-8-14-11)16-10-15-12-6-1-2-7-13(12)16/h1-8,10H,9H2
InChIKeyPWWDEIMGEBPTJL-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.14
Rot. Bonds3

About 1-(pyridin-2-ylmethylsulfinyl)benzimidazole

1-(pyridin-2-ylmethylsulfinyl)benzimidazole (PubChem CID 22479289) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethylsulfinyl)benzimidazole.

Molecular Properties

Compound Name1-(pyridin-2-ylmethylsulfinyl)benzimidazole
PubChem CID22479289
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name1-(pyridin-2-ylmethylsulfinyl)benzimidazole
SMILESO=S(Cc1ccccn1)n1cnc2ccccc21
InChIInChI=1S/C13H11N3OS/c17-18(9-11-5-3-4-8-14-11)16-10-15-12-6-1-2-7-13(12)16/h1-8,10H,9H2
InChIKeyPWWDEIMGEBPTJL-UHFFFAOYSA-N
XLogP2.14
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzylsulfinylbenzimidazole
CID 22394105
1-[[4-(cyclopropylmethoxy)-2-pyridinyl]methylsulfinyl]benzimidazole
CID 67585346
benzimidazole-1-sulfinate
CID 56998741
pyridin-2-ylmethanesulfinate
CID 57191587
2-(benzimidazol-1-yl)-N-ethyl-N-(pyridin-2-ylmethyl)acetamide
CID 166221588
(4R,6S)-6-[1-(benzimidazol-1-yl)-2-pyridin-2-ylethyl]-4-hydroxyoxan-2-one
CID 56995182
2-[(4-methylphenyl)sulfinylmethyl]pyridine
CID 14545769
2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole
CID 134859025
1-methylbenzimidazole;propane
CID 91130597
2-(thiophen-2-ylsulfinylmethyl)pyridine
CID 56639480
ethyl 2-[2-(pyridin-2-ylmethylsulfinyl)benzimidazol-1-yl]acetate
CID 20518166
3-phenyl-2-(pyridin-2-ylmethylsulfinyl)quinazolin-4-one
CID 3088195

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethylsulfinyl)benzimidazole?
The IUPAC name of 1-(pyridin-2-ylmethylsulfinyl)benzimidazole (CID 22479289) is 1-(pyridin-2-ylmethylsulfinyl)benzimidazole.
What is the SMILES notation for 1-(pyridin-2-ylmethylsulfinyl)benzimidazole?
The canonical SMILES for 1-(pyridin-2-ylmethylsulfinyl)benzimidazole is O=S(Cc1ccccn1)n1cnc2ccccc21.
What is the InChIKey of 1-(pyridin-2-ylmethylsulfinyl)benzimidazole?
The InChIKey is PWWDEIMGEBPTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c17-18(9-11-5-3-4-8-14-11)16-10-15-12-6-1-2-7-13(12)16/h1-8,10H,9H2.
What are the key properties of 1-(pyridin-2-ylmethylsulfinyl)benzimidazole?
1-(pyridin-2-ylmethylsulfinyl)benzimidazole has a molecular weight of 257.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethylsulfinyl)benzimidazole is sourced from PubChem (CID 22479289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).