4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-1H-imidazole

C24H22N2O2S — CID 12832321

IUPAC4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-1H-imidazole
SMILESCOc1ccc(-c2nc(Sc3ccc(C)cc3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H22N2O2S/c1-16-4-14-21(15-5-16)29-24-25-22(17-6-10-19(27-2)11-7-17)23(26-24)18-8-12-20(28-3)13-9-18/h4-15H,1-3H3,(H,25,26)
InChIKeyFKWMJKPLHWEZQD-UHFFFAOYSA-N
MW402.52 g/mol
LogP6.22
Rot. Bonds6

About 4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-1H-imidazole

4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-1H-imidazole (PubChem CID 12832321) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-1H-imidazole
PubChem CID12832321
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC Name4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-1H-imidazole
SMILESCOc1ccc(-c2nc(Sc3ccc(C)cc3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H22N2O2S/c1-16-4-14-21(15-5-16)29-24-25-22(17-6-10-19(27-2)11-7-17)23(26-24)18-8-12-20(28-3)13-9-18/h4-15H,1-3H3,(H,25,26)
InChIKeyFKWMJKPLHWEZQD-UHFFFAOYSA-N
XLogP6.22
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole
CID 12832380
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pyridine
CID 12832390
N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-methylbenzamide
CID 3273706
4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 90189417
2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 13394256
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]cyclopentan-1-ol
CID 23457651
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide
CID 69440081
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 2718104
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
4,5-bis(4-methoxyphenyl)-2-[(E)-2-methylsulfanylethenyl]-1H-imidazole
CID 139680874
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-1H-imidazole?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-1H-imidazole (CID 12832321) is 4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-1H-imidazole.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-1H-imidazole?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-1H-imidazole is COc1ccc(-c2nc(Sc3ccc(C)cc3)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-1H-imidazole?
The InChIKey is FKWMJKPLHWEZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-16-4-14-21(15-5-16)29-24-25-22(17-6-10-19(27-2)11-7-17)23(26-24)18-8-12-20(28-3)13-9-18/h4-15H,1-3H3,(H,25,26).
What are the key properties of 4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-1H-imidazole?
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-1H-imidazole has a molecular weight of 402.52 g/mol, XLogP of 6.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-1H-imidazole is sourced from PubChem (CID 12832321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).