phenyl 2-methylsulfanylbenzimidazole-1-carboxylate

C15H12N2O2S — CID 605838

IUPACphenyl 2-methylsulfanylbenzimidazole-1-carboxylate
SMILESCSc1nc2ccccc2n1C(=O)Oc1ccccc1
InChIInChI=1S/C15H12N2O2S/c1-20-14-16-12-9-5-6-10-13(12)17(14)15(18)19-11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyCJXRMCAPYHIVLL-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.81
Rot. Bonds2

About phenyl 2-methylsulfanylbenzimidazole-1-carboxylate

phenyl 2-methylsulfanylbenzimidazole-1-carboxylate (PubChem CID 605838) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is phenyl 2-methylsulfanylbenzimidazole-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-methylsulfanylbenzimidazole-1-carboxylate
PubChem CID605838
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Namephenyl 2-methylsulfanylbenzimidazole-1-carboxylate
SMILESCSc1nc2ccccc2n1C(=O)Oc1ccccc1
InChIInChI=1S/C15H12N2O2S/c1-20-14-16-12-9-5-6-10-13(12)17(14)15(18)19-11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyCJXRMCAPYHIVLL-UHFFFAOYSA-N
XLogP3.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-methylsulfanylbenzimidazole-1-carboxylate?
The IUPAC name of phenyl 2-methylsulfanylbenzimidazole-1-carboxylate (CID 605838) is phenyl 2-methylsulfanylbenzimidazole-1-carboxylate.
What is the SMILES notation for phenyl 2-methylsulfanylbenzimidazole-1-carboxylate?
The canonical SMILES for phenyl 2-methylsulfanylbenzimidazole-1-carboxylate is CSc1nc2ccccc2n1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-methylsulfanylbenzimidazole-1-carboxylate?
The InChIKey is CJXRMCAPYHIVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-20-14-16-12-9-5-6-10-13(12)17(14)15(18)19-11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of phenyl 2-methylsulfanylbenzimidazole-1-carboxylate?
phenyl 2-methylsulfanylbenzimidazole-1-carboxylate has a molecular weight of 284.34 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-methylsulfanylbenzimidazole-1-carboxylate is sourced from PubChem (CID 605838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).