1-phenylsulfanylbenzimidazole

C13H10N2S — CID 13096820

IUPAC1-phenylsulfanylbenzimidazole
SMILESc1ccc(Sn2cnc3ccccc32)cc1
InChIInChI=1S/C13H10N2S/c1-2-6-11(7-3-1)16-15-10-14-12-8-4-5-9-13(12)15/h1-10H
InChIKeyMFWSSCXRWMHRHP-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.59
Rot. Bonds2

About 1-phenylsulfanylbenzimidazole

1-phenylsulfanylbenzimidazole (PubChem CID 13096820) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-phenylsulfanylbenzimidazole.

Molecular Properties

Compound Name1-phenylsulfanylbenzimidazole
PubChem CID13096820
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC Name1-phenylsulfanylbenzimidazole
SMILESc1ccc(Sn2cnc3ccccc32)cc1
InChIInChI=1S/C13H10N2S/c1-2-6-11(7-3-1)16-15-10-14-12-8-4-5-9-13(12)15/h1-10H
InChIKeyMFWSSCXRWMHRHP-UHFFFAOYSA-N
XLogP3.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanylbenzimidazole?
The IUPAC name of 1-phenylsulfanylbenzimidazole (CID 13096820) is 1-phenylsulfanylbenzimidazole.
What is the SMILES notation for 1-phenylsulfanylbenzimidazole?
The canonical SMILES for 1-phenylsulfanylbenzimidazole is c1ccc(Sn2cnc3ccccc32)cc1.
What is the InChIKey of 1-phenylsulfanylbenzimidazole?
The InChIKey is MFWSSCXRWMHRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S/c1-2-6-11(7-3-1)16-15-10-14-12-8-4-5-9-13(12)15/h1-10H.
What are the key properties of 1-phenylsulfanylbenzimidazole?
1-phenylsulfanylbenzimidazole has a molecular weight of 226.30 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylsulfanylbenzimidazole is sourced from PubChem (CID 13096820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).