5-[1-(2-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

C25H24N2O2S — CID 154716836

IUPAC5-[1-(2-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESC=C(c1ccccc1C)C1CN=C(c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H24N2O2S/c1-18-13-15-22(16-14-18)30(28,29)27-24(20(3)23-12-8-7-9-19(23)2)17-26-25(27)21-10-5-4-6-11-21/h4-16,24H,3,17H2,1-2H3
InChIKeyQCTMQSWFJUHVBU-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.84
Rot. Bonds5

About 5-[1-(2-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

5-[1-(2-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (PubChem CID 154716836) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is 5-[1-(2-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name5-[1-(2-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
PubChem CID154716836
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC Name5-[1-(2-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESC=C(c1ccccc1C)C1CN=C(c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H24N2O2S/c1-18-13-15-22(16-14-18)30(28,29)27-24(20(3)23-12-8-7-9-19(23)2)17-26-25(27)21-10-5-4-6-11-21/h4-16,24H,3,17H2,1-2H3
InChIKeyQCTMQSWFJUHVBU-UHFFFAOYSA-N
XLogP4.84
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The IUPAC name of 5-[1-(2-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (CID 154716836) is 5-[1-(2-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.
What is the SMILES notation for 5-[1-(2-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The canonical SMILES for 5-[1-(2-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is C=C(c1ccccc1C)C1CN=C(c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 5-[1-(2-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The InChIKey is QCTMQSWFJUHVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S/c1-18-13-15-22(16-14-18)30(28,29)27-24(20(3)23-12-8-7-9-19(23)2)17-26-25(27)21-10-5-4-6-11-21/h4-16,24H,3,17H2,1-2H3.
What are the key properties of 5-[1-(2-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
5-[1-(2-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole has a molecular weight of 416.55 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is sourced from PubChem (CID 154716836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).