4,5-diphenyl-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-2-thiophen-2-ylimidazole

C34H28N2S2 — CID 139086250

IUPAC4,5-diphenyl-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-2-thiophen-2-ylimidazole
SMILESc1ccc(C[C@@H](CSc2ccccc2)n2c(-c3cccs3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C34H28N2S2/c1-5-14-26(15-6-1)24-29(25-38-30-20-11-4-12-21-30)36-33(28-18-9-3-10-19-28)32(27-16-7-2-8-17-27)35-34(36)31-22-13-23-37-31/h1-23,29H,24-25H2/t29-/m0/s1
InChIKeyFLKLYBMQDQPDLD-LJAQVGFWSA-N
MW528.75 g/mol
LogP9.52
Rot. Bonds9

About 4,5-diphenyl-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-2-thiophen-2-ylimidazole

4,5-diphenyl-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-2-thiophen-2-ylimidazole (PubChem CID 139086250) has the molecular formula C34H28N2S2 and a molecular weight of 528.75 g/mol. Its IUPAC name is 4,5-diphenyl-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name4,5-diphenyl-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-2-thiophen-2-ylimidazole
PubChem CID139086250
Molecular FormulaC34H28N2S2
Molecular Weight528.75 g/mol
Exact Mass528.17
IUPAC Name4,5-diphenyl-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-2-thiophen-2-ylimidazole
SMILESc1ccc(C[C@@H](CSc2ccccc2)n2c(-c3cccs3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C34H28N2S2/c1-5-14-26(15-6-1)24-29(25-38-30-20-11-4-12-21-30)36-33(28-18-9-3-10-19-28)32(27-16-7-2-8-17-27)35-34(36)31-22-13-23-37-31/h1-23,29H,24-25H2/t29-/m0/s1
InChIKeyFLKLYBMQDQPDLD-LJAQVGFWSA-N
XLogP9.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.75
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-2-thiophen-2-ylimidazole?
The IUPAC name of 4,5-diphenyl-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-2-thiophen-2-ylimidazole (CID 139086250) is 4,5-diphenyl-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-2-thiophen-2-ylimidazole.
What is the SMILES notation for 4,5-diphenyl-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-2-thiophen-2-ylimidazole?
The canonical SMILES for 4,5-diphenyl-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-2-thiophen-2-ylimidazole is c1ccc(C[C@@H](CSc2ccccc2)n2c(-c3cccs3)nc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-2-thiophen-2-ylimidazole?
The InChIKey is FLKLYBMQDQPDLD-LJAQVGFWSA-N. The full InChI is InChI=1S/C34H28N2S2/c1-5-14-26(15-6-1)24-29(25-38-30-20-11-4-12-21-30)36-33(28-18-9-3-10-19-28)32(27-16-7-2-8-17-27)35-34(36)31-22-13-23-37-31/h1-23,29H,24-25H2/t29-/m0/s1.
What are the key properties of 4,5-diphenyl-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-2-thiophen-2-ylimidazole?
4,5-diphenyl-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-2-thiophen-2-ylimidazole has a molecular weight of 528.75 g/mol, XLogP of 9.52, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-2-thiophen-2-ylimidazole is sourced from PubChem (CID 139086250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).