5-(2-methyl-2-phenylsulfanylpropyl)-2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole

C16H24N2S2 — CID 134454150

IUPAC5-(2-methyl-2-phenylsulfanylpropyl)-2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole
SMILESCC(C)SC1=NCC(CC(C)(C)Sc2ccccc2)N1
InChIInChI=1S/C16H24N2S2/c1-12(2)19-15-17-11-13(18-15)10-16(3,4)20-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3,(H,17,18)
InChIKeyAXEUAPUWMUCYIQ-UHFFFAOYSA-N
MW308.52 g/mol
LogP4.42
Rot. Bonds5

About 5-(2-methyl-2-phenylsulfanylpropyl)-2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole

5-(2-methyl-2-phenylsulfanylpropyl)-2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole (PubChem CID 134454150) has the molecular formula C16H24N2S2 and a molecular weight of 308.52 g/mol. Its IUPAC name is 5-(2-methyl-2-phenylsulfanylpropyl)-2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-(2-methyl-2-phenylsulfanylpropyl)-2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole
PubChem CID134454150
Molecular FormulaC16H24N2S2
Molecular Weight308.52 g/mol
Exact Mass308.14
IUPAC Name5-(2-methyl-2-phenylsulfanylpropyl)-2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole
SMILESCC(C)SC1=NCC(CC(C)(C)Sc2ccccc2)N1
InChIInChI=1S/C16H24N2S2/c1-12(2)19-15-17-11-13(18-15)10-16(3,4)20-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3,(H,17,18)
InChIKeyAXEUAPUWMUCYIQ-UHFFFAOYSA-N
XLogP4.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-2-phenylsulfanylpropyl)-2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-(2-methyl-2-phenylsulfanylpropyl)-2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole (CID 134454150) is 5-(2-methyl-2-phenylsulfanylpropyl)-2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-(2-methyl-2-phenylsulfanylpropyl)-2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-(2-methyl-2-phenylsulfanylpropyl)-2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole is CC(C)SC1=NCC(CC(C)(C)Sc2ccccc2)N1.
What is the InChIKey of 5-(2-methyl-2-phenylsulfanylpropyl)-2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole?
The InChIKey is AXEUAPUWMUCYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S2/c1-12(2)19-15-17-11-13(18-15)10-16(3,4)20-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3,(H,17,18).
What are the key properties of 5-(2-methyl-2-phenylsulfanylpropyl)-2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole?
5-(2-methyl-2-phenylsulfanylpropyl)-2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole has a molecular weight of 308.52 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-2-phenylsulfanylpropyl)-2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 134454150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).