1-benzylsulfanylbenzimidazole

C14H12N2S — CID 22394082

IUPAC1-benzylsulfanylbenzimidazole
SMILESc1ccc(CSn2cnc3ccccc32)cc1
InChIInChI=1S/C14H12N2S/c1-2-6-12(7-3-1)10-17-16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2
InChIKeyISFOIHKOLREAJP-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.73
Rot. Bonds3

About 1-benzylsulfanylbenzimidazole

1-benzylsulfanylbenzimidazole (PubChem CID 22394082) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-benzylsulfanylbenzimidazole.

Molecular Properties

Compound Name1-benzylsulfanylbenzimidazole
PubChem CID22394082
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name1-benzylsulfanylbenzimidazole
SMILESc1ccc(CSn2cnc3ccccc32)cc1
InChIInChI=1S/C14H12N2S/c1-2-6-12(7-3-1)10-17-16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2
InChIKeyISFOIHKOLREAJP-UHFFFAOYSA-N
XLogP3.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfanylbenzimidazole?
The IUPAC name of 1-benzylsulfanylbenzimidazole (CID 22394082) is 1-benzylsulfanylbenzimidazole.
What is the SMILES notation for 1-benzylsulfanylbenzimidazole?
The canonical SMILES for 1-benzylsulfanylbenzimidazole is c1ccc(CSn2cnc3ccccc32)cc1.
What is the InChIKey of 1-benzylsulfanylbenzimidazole?
The InChIKey is ISFOIHKOLREAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-2-6-12(7-3-1)10-17-16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2.
What are the key properties of 1-benzylsulfanylbenzimidazole?
1-benzylsulfanylbenzimidazole has a molecular weight of 240.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfanylbenzimidazole is sourced from PubChem (CID 22394082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).