2-ethyl-5-methyl-4-phenylsulfanyl-1H-imidazole

C12H14N2S — CID 45095311

IUPAC2-ethyl-5-methyl-4-phenylsulfanyl-1H-imidazole
SMILESCCc1nc(Sc2ccccc2)c(C)[nH]1
InChIInChI=1S/C12H14N2S/c1-3-11-13-9(2)12(14-11)15-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyVPTXPNMRZKEMRW-UHFFFAOYSA-N
MW218.33 g/mol
LogP3.43
Rot. Bonds3

About 2-ethyl-5-methyl-4-phenylsulfanyl-1H-imidazole

2-ethyl-5-methyl-4-phenylsulfanyl-1H-imidazole (PubChem CID 45095311) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 2-ethyl-5-methyl-4-phenylsulfanyl-1H-imidazole.

Molecular Properties

Compound Name2-ethyl-5-methyl-4-phenylsulfanyl-1H-imidazole
PubChem CID45095311
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name2-ethyl-5-methyl-4-phenylsulfanyl-1H-imidazole
SMILESCCc1nc(Sc2ccccc2)c(C)[nH]1
InChIInChI=1S/C12H14N2S/c1-3-11-13-9(2)12(14-11)15-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyVPTXPNMRZKEMRW-UHFFFAOYSA-N
XLogP3.43
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-4-phenylsulfanyl-1H-imidazole?
The IUPAC name of 2-ethyl-5-methyl-4-phenylsulfanyl-1H-imidazole (CID 45095311) is 2-ethyl-5-methyl-4-phenylsulfanyl-1H-imidazole.
What is the SMILES notation for 2-ethyl-5-methyl-4-phenylsulfanyl-1H-imidazole?
The canonical SMILES for 2-ethyl-5-methyl-4-phenylsulfanyl-1H-imidazole is CCc1nc(Sc2ccccc2)c(C)[nH]1.
What is the InChIKey of 2-ethyl-5-methyl-4-phenylsulfanyl-1H-imidazole?
The InChIKey is VPTXPNMRZKEMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-3-11-13-9(2)12(14-11)15-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-ethyl-5-methyl-4-phenylsulfanyl-1H-imidazole?
2-ethyl-5-methyl-4-phenylsulfanyl-1H-imidazole has a molecular weight of 218.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-4-phenylsulfanyl-1H-imidazole is sourced from PubChem (CID 45095311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).