1-ethyl-5-ethylsulfanyl-2-phenylimidazole

C13H16N2S — CID 853734

IUPAC1-ethyl-5-ethylsulfanyl-2-phenylimidazole
SMILESCCSc1cnc(-c2ccccc2)n1CC
InChIInChI=1S/C13H16N2S/c1-3-15-12(16-4-2)10-14-13(15)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyRMVUPVKSDLWVKP-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.68
Rot. Bonds4

About 1-ethyl-5-ethylsulfanyl-2-phenylimidazole

1-ethyl-5-ethylsulfanyl-2-phenylimidazole (PubChem CID 853734) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-ethyl-5-ethylsulfanyl-2-phenylimidazole.

Molecular Properties

Compound Name1-ethyl-5-ethylsulfanyl-2-phenylimidazole
PubChem CID853734
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-ethyl-5-ethylsulfanyl-2-phenylimidazole
SMILESCCSc1cnc(-c2ccccc2)n1CC
InChIInChI=1S/C13H16N2S/c1-3-15-12(16-4-2)10-14-13(15)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyRMVUPVKSDLWVKP-UHFFFAOYSA-N
XLogP3.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-ethylsulfanyl-2-phenylimidazole?
The IUPAC name of 1-ethyl-5-ethylsulfanyl-2-phenylimidazole (CID 853734) is 1-ethyl-5-ethylsulfanyl-2-phenylimidazole.
What is the SMILES notation for 1-ethyl-5-ethylsulfanyl-2-phenylimidazole?
The canonical SMILES for 1-ethyl-5-ethylsulfanyl-2-phenylimidazole is CCSc1cnc(-c2ccccc2)n1CC.
What is the InChIKey of 1-ethyl-5-ethylsulfanyl-2-phenylimidazole?
The InChIKey is RMVUPVKSDLWVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-3-15-12(16-4-2)10-14-13(15)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-5-ethylsulfanyl-2-phenylimidazole?
1-ethyl-5-ethylsulfanyl-2-phenylimidazole has a molecular weight of 232.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-ethylsulfanyl-2-phenylimidazole is sourced from PubChem (CID 853734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).