1,5-dimethyl-2-phenylsulfanylimidazole

C11H12N2S — CID 54523690

IUPAC1,5-dimethyl-2-phenylsulfanylimidazole
SMILESCc1cnc(Sc2ccccc2)n1C
InChIInChI=1S/C11H12N2S/c1-9-8-12-11(13(9)2)14-10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyYRPURTQZBIARMT-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.88
Rot. Bonds2

About 1,5-dimethyl-2-phenylsulfanylimidazole

1,5-dimethyl-2-phenylsulfanylimidazole (PubChem CID 54523690) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 1,5-dimethyl-2-phenylsulfanylimidazole.

Molecular Properties

Compound Name1,5-dimethyl-2-phenylsulfanylimidazole
PubChem CID54523690
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name1,5-dimethyl-2-phenylsulfanylimidazole
SMILESCc1cnc(Sc2ccccc2)n1C
InChIInChI=1S/C11H12N2S/c1-9-8-12-11(13(9)2)14-10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyYRPURTQZBIARMT-UHFFFAOYSA-N
XLogP2.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-phenylsulfanylimidazole?
The IUPAC name of 1,5-dimethyl-2-phenylsulfanylimidazole (CID 54523690) is 1,5-dimethyl-2-phenylsulfanylimidazole.
What is the SMILES notation for 1,5-dimethyl-2-phenylsulfanylimidazole?
The canonical SMILES for 1,5-dimethyl-2-phenylsulfanylimidazole is Cc1cnc(Sc2ccccc2)n1C.
What is the InChIKey of 1,5-dimethyl-2-phenylsulfanylimidazole?
The InChIKey is YRPURTQZBIARMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-9-8-12-11(13(9)2)14-10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of 1,5-dimethyl-2-phenylsulfanylimidazole?
1,5-dimethyl-2-phenylsulfanylimidazole has a molecular weight of 204.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-phenylsulfanylimidazole is sourced from PubChem (CID 54523690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).