5-methylsulfanyl-1-phenylbenzimidazole

C14H12N2S — CID 5328514

IUPAC5-methylsulfanyl-1-phenylbenzimidazole
SMILESCSc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C14H12N2S/c1-17-12-7-8-14-13(9-12)15-10-16(14)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyZAFMFDKGUGVXFS-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.75
Rot. Bonds2

About 5-methylsulfanyl-1-phenylbenzimidazole

5-methylsulfanyl-1-phenylbenzimidazole (PubChem CID 5328514) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 5-methylsulfanyl-1-phenylbenzimidazole.

Molecular Properties

Compound Name5-methylsulfanyl-1-phenylbenzimidazole
PubChem CID5328514
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name5-methylsulfanyl-1-phenylbenzimidazole
SMILESCSc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C14H12N2S/c1-17-12-7-8-14-13(9-12)15-10-16(14)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyZAFMFDKGUGVXFS-UHFFFAOYSA-N
XLogP3.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1-phenylbenzimidazole?
The IUPAC name of 5-methylsulfanyl-1-phenylbenzimidazole (CID 5328514) is 5-methylsulfanyl-1-phenylbenzimidazole.
What is the SMILES notation for 5-methylsulfanyl-1-phenylbenzimidazole?
The canonical SMILES for 5-methylsulfanyl-1-phenylbenzimidazole is CSc1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of 5-methylsulfanyl-1-phenylbenzimidazole?
The InChIKey is ZAFMFDKGUGVXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-17-12-7-8-14-13(9-12)15-10-16(14)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 5-methylsulfanyl-1-phenylbenzimidazole?
5-methylsulfanyl-1-phenylbenzimidazole has a molecular weight of 240.33 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1-phenylbenzimidazole is sourced from PubChem (CID 5328514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).