2-(2-phenylethenyl)-4,5-bis(4-phenylsulfanylphenyl)-1H-imidazole

C35H26N2S2 — CID 4714513

IUPAC2-(2-phenylethenyl)-4,5-bis(4-phenylsulfanylphenyl)-1H-imidazole
SMILESC(=Cc1nc(-c2ccc(Sc3ccccc3)cc2)c(-c2ccc(Sc3ccccc3)cc2)[nH]1)c1ccccc1
InChIInChI=1S/C35H26N2S2/c1-4-10-26(11-5-1)16-25-33-36-34(27-17-21-31(22-18-27)38-29-12-6-2-7-13-29)35(37-33)28-19-23-32(24-20-28)39-30-14-8-3-9-15-30/h1-25H,(H,36,37)
InChIKeyMDYXGDSVFFDLTJ-UHFFFAOYSA-N
MW538.74 g/mol
LogP10.22
Rot. Bonds8

About 2-(2-phenylethenyl)-4,5-bis(4-phenylsulfanylphenyl)-1H-imidazole

2-(2-phenylethenyl)-4,5-bis(4-phenylsulfanylphenyl)-1H-imidazole (PubChem CID 4714513) has the molecular formula C35H26N2S2 and a molecular weight of 538.74 g/mol. Its IUPAC name is 2-(2-phenylethenyl)-4,5-bis(4-phenylsulfanylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-phenylethenyl)-4,5-bis(4-phenylsulfanylphenyl)-1H-imidazole
PubChem CID4714513
Molecular FormulaC35H26N2S2
Molecular Weight538.74 g/mol
Exact Mass538.15
IUPAC Name2-(2-phenylethenyl)-4,5-bis(4-phenylsulfanylphenyl)-1H-imidazole
SMILESC(=Cc1nc(-c2ccc(Sc3ccccc3)cc2)c(-c2ccc(Sc3ccccc3)cc2)[nH]1)c1ccccc1
InChIInChI=1S/C35H26N2S2/c1-4-10-26(11-5-1)16-25-33-36-34(27-17-21-31(22-18-27)38-29-12-6-2-7-13-29)35(37-33)28-19-23-32(24-20-28)39-30-14-8-3-9-15-30/h1-25H,(H,36,37)
InChIKeyMDYXGDSVFFDLTJ-UHFFFAOYSA-N
XLogP10.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.74
LogP ≤ 510.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4,5-diphenyl-1H-imidazol-2-yl)ethenyl]pyridine
CID 54202696
4-[2-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1H-imidazol-2-yl]ethenyl]phenol
CID 136654083
2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-bis(4-nitrophenyl)-1H-imidazole
CID 102282217
4,5-bis(4-methoxyphenyl)-2-[(E)-2-methylsulfanylethenyl]-1H-imidazole
CID 139680874
5-(4-ethoxyphenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-4-phenyl-1H-imidazole
CID 13308962
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
4,5-bis(4-hydroxyphenyl)-1H-imidazole-2-carbaldehyde
CID 139680878
4-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine
CID 11784086
2-[(4-methylphenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 3773711
2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole
CID 23175626
2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 158996329

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenyl)-4,5-bis(4-phenylsulfanylphenyl)-1H-imidazole?
The IUPAC name of 2-(2-phenylethenyl)-4,5-bis(4-phenylsulfanylphenyl)-1H-imidazole (CID 4714513) is 2-(2-phenylethenyl)-4,5-bis(4-phenylsulfanylphenyl)-1H-imidazole.
What is the SMILES notation for 2-(2-phenylethenyl)-4,5-bis(4-phenylsulfanylphenyl)-1H-imidazole?
The canonical SMILES for 2-(2-phenylethenyl)-4,5-bis(4-phenylsulfanylphenyl)-1H-imidazole is C(=Cc1nc(-c2ccc(Sc3ccccc3)cc2)c(-c2ccc(Sc3ccccc3)cc2)[nH]1)c1ccccc1.
What is the InChIKey of 2-(2-phenylethenyl)-4,5-bis(4-phenylsulfanylphenyl)-1H-imidazole?
The InChIKey is MDYXGDSVFFDLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2S2/c1-4-10-26(11-5-1)16-25-33-36-34(27-17-21-31(22-18-27)38-29-12-6-2-7-13-29)35(37-33)28-19-23-32(24-20-28)39-30-14-8-3-9-15-30/h1-25H,(H,36,37).
What are the key properties of 2-(2-phenylethenyl)-4,5-bis(4-phenylsulfanylphenyl)-1H-imidazole?
2-(2-phenylethenyl)-4,5-bis(4-phenylsulfanylphenyl)-1H-imidazole has a molecular weight of 538.74 g/mol, XLogP of 10.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenyl)-4,5-bis(4-phenylsulfanylphenyl)-1H-imidazole is sourced from PubChem (CID 4714513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).