1-[(4S,5R)-2-methylsulfanyl-4,5-diphenyl-4,5-dihydroimidazol-1-yl]ethanone

C18H18N2OS — CID 59655347

IUPAC1-[(4S,5R)-2-methylsulfanyl-4,5-diphenyl-4,5-dihydroimidazol-1-yl]ethanone
SMILESCSC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1C(C)=O
InChIInChI=1S/C18H18N2OS/c1-13(21)20-17(15-11-7-4-8-12-15)16(19-18(20)22-2)14-9-5-3-6-10-14/h3-12,16-17H,1-2H3/t16-,17+/m0/s1
InChIKeyYSRDJEOIQQKZDD-DLBZAZTESA-N
MW310.42 g/mol
LogP4.05
Rot. Bonds2

About 1-[(4S,5R)-2-methylsulfanyl-4,5-diphenyl-4,5-dihydroimidazol-1-yl]ethanone

1-[(4S,5R)-2-methylsulfanyl-4,5-diphenyl-4,5-dihydroimidazol-1-yl]ethanone (PubChem CID 59655347) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[(4S,5R)-2-methylsulfanyl-4,5-diphenyl-4,5-dihydroimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(4S,5R)-2-methylsulfanyl-4,5-diphenyl-4,5-dihydroimidazol-1-yl]ethanone
PubChem CID59655347
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name1-[(4S,5R)-2-methylsulfanyl-4,5-diphenyl-4,5-dihydroimidazol-1-yl]ethanone
SMILESCSC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1C(C)=O
InChIInChI=1S/C18H18N2OS/c1-13(21)20-17(15-11-7-4-8-12-15)16(19-18(20)22-2)14-9-5-3-6-10-14/h3-12,16-17H,1-2H3/t16-,17+/m0/s1
InChIKeyYSRDJEOIQQKZDD-DLBZAZTESA-N
XLogP4.05
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S,5R)-2-methylsulfanyl-4,5-diphenyl-4,5-dihydroimidazol-1-yl]ethanone?
The IUPAC name of 1-[(4S,5R)-2-methylsulfanyl-4,5-diphenyl-4,5-dihydroimidazol-1-yl]ethanone (CID 59655347) is 1-[(4S,5R)-2-methylsulfanyl-4,5-diphenyl-4,5-dihydroimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[(4S,5R)-2-methylsulfanyl-4,5-diphenyl-4,5-dihydroimidazol-1-yl]ethanone?
The canonical SMILES for 1-[(4S,5R)-2-methylsulfanyl-4,5-diphenyl-4,5-dihydroimidazol-1-yl]ethanone is CSC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1C(C)=O.
What is the InChIKey of 1-[(4S,5R)-2-methylsulfanyl-4,5-diphenyl-4,5-dihydroimidazol-1-yl]ethanone?
The InChIKey is YSRDJEOIQQKZDD-DLBZAZTESA-N. The full InChI is InChI=1S/C18H18N2OS/c1-13(21)20-17(15-11-7-4-8-12-15)16(19-18(20)22-2)14-9-5-3-6-10-14/h3-12,16-17H,1-2H3/t16-,17+/m0/s1.
What are the key properties of 1-[(4S,5R)-2-methylsulfanyl-4,5-diphenyl-4,5-dihydroimidazol-1-yl]ethanone?
1-[(4S,5R)-2-methylsulfanyl-4,5-diphenyl-4,5-dihydroimidazol-1-yl]ethanone has a molecular weight of 310.42 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S,5R)-2-methylsulfanyl-4,5-diphenyl-4,5-dihydroimidazol-1-yl]ethanone is sourced from PubChem (CID 59655347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).