2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole

C13H11N3S — CID 3012526

IUPAC2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole
SMILESc1cncc(CSc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C13H11N3S/c1-2-6-12-11(5-1)15-13(16-12)17-9-10-4-3-7-14-8-10/h1-8H,9H2,(H,15,16)
InChIKeyWGFGBWGHRDUSFJ-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.25
Rot. Bonds3

About 2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole

2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole (PubChem CID 3012526) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole
PubChem CID3012526
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole
SMILESc1cncc(CSc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C13H11N3S/c1-2-6-12-11(5-1)15-13(16-12)17-9-10-4-3-7-14-8-10/h1-8H,9H2,(H,15,16)
InChIKeyWGFGBWGHRDUSFJ-UHFFFAOYSA-N
XLogP3.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62583732
[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol
CID 112630397
2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
CID 673905
2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole
CID 11822979
2-[(4-benzylsulfanyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
CID 54362469
2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide
CID 134106203
2-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-3-ol;dihydrochloride
CID 44662613
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
7-(1H-benzimidazol-2-ylsulfanylmethyl)-4-chloroquinoline
CID 19075129
N-methyl-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine
CID 115143872
2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361
2-[(1-methylimidazol-2-yl)methylsulfanyl]-1H-benzimidazole
CID 47259171

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole?
The IUPAC name of 2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole (CID 3012526) is 2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole.
What is the SMILES notation for 2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole?
The canonical SMILES for 2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole is c1cncc(CSc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole?
The InChIKey is WGFGBWGHRDUSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-2-6-12-11(5-1)15-13(16-12)17-9-10-4-3-7-14-8-10/h1-8H,9H2,(H,15,16).
What are the key properties of 2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole?
2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole has a molecular weight of 241.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole is sourced from PubChem (CID 3012526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).