1-ethenyl-2-ethenylsulfanyl-4,5-diphenylimidazole

C19H16N2S — CID 3042257

IUPAC1-ethenyl-2-ethenylsulfanyl-4,5-diphenylimidazole
SMILESC=CSc1nc(-c2ccccc2)c(-c2ccccc2)n1C=C
InChIInChI=1S/C19H16N2S/c1-3-21-18(16-13-9-6-10-14-16)17(20-19(21)22-4-2)15-11-7-5-8-12-15/h3-14H,1-2H2
InChIKeySZDFHZRXSULOIT-UHFFFAOYSA-N
MW304.42 g/mol
LogP5.55
Rot. Bonds5

About 1-ethenyl-2-ethenylsulfanyl-4,5-diphenylimidazole

1-ethenyl-2-ethenylsulfanyl-4,5-diphenylimidazole (PubChem CID 3042257) has the molecular formula C19H16N2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-ethenyl-2-ethenylsulfanyl-4,5-diphenylimidazole.

Molecular Properties

Compound Name1-ethenyl-2-ethenylsulfanyl-4,5-diphenylimidazole
PubChem CID3042257
Molecular FormulaC19H16N2S
Molecular Weight304.42 g/mol
Exact Mass304.10
IUPAC Name1-ethenyl-2-ethenylsulfanyl-4,5-diphenylimidazole
SMILESC=CSc1nc(-c2ccccc2)c(-c2ccccc2)n1C=C
InChIInChI=1S/C19H16N2S/c1-3-21-18(16-13-9-6-10-14-16)17(20-19(21)22-4-2)15-11-7-5-8-12-15/h3-14H,1-2H2
InChIKeySZDFHZRXSULOIT-UHFFFAOYSA-N
XLogP5.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.42
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-ethenylsulfanyl-4,5-diphenylimidazole?
The IUPAC name of 1-ethenyl-2-ethenylsulfanyl-4,5-diphenylimidazole (CID 3042257) is 1-ethenyl-2-ethenylsulfanyl-4,5-diphenylimidazole.
What is the SMILES notation for 1-ethenyl-2-ethenylsulfanyl-4,5-diphenylimidazole?
The canonical SMILES for 1-ethenyl-2-ethenylsulfanyl-4,5-diphenylimidazole is C=CSc1nc(-c2ccccc2)c(-c2ccccc2)n1C=C.
What is the InChIKey of 1-ethenyl-2-ethenylsulfanyl-4,5-diphenylimidazole?
The InChIKey is SZDFHZRXSULOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2S/c1-3-21-18(16-13-9-6-10-14-16)17(20-19(21)22-4-2)15-11-7-5-8-12-15/h3-14H,1-2H2.
What are the key properties of 1-ethenyl-2-ethenylsulfanyl-4,5-diphenylimidazole?
1-ethenyl-2-ethenylsulfanyl-4,5-diphenylimidazole has a molecular weight of 304.42 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-ethenylsulfanyl-4,5-diphenylimidazole is sourced from PubChem (CID 3042257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).