1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

C18H20N2O4S — CID 15942901

IUPAC1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCOc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)c(OC)cc1C
InChIInChI=1S/C18H20N2O4S/c1-13-11-16(24-3)17(12-15(13)23-2)25(21,22)20-10-9-19-18(20)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3
InChIKeyMIEKDEANKIYOSY-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.46
Rot. Bonds5

About 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (PubChem CID 15942901) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
PubChem CID15942901
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCOc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)c(OC)cc1C
InChIInChI=1S/C18H20N2O4S/c1-13-11-16(24-3)17(12-15(13)23-2)25(21,22)20-10-9-19-18(20)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3
InChIKeyMIEKDEANKIYOSY-UHFFFAOYSA-N
XLogP2.46
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The IUPAC name of 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (CID 15942901) is 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is COc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)c(OC)cc1C.
What is the InChIKey of 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The InChIKey is MIEKDEANKIYOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13-11-16(24-3)17(12-15(13)23-2)25(21,22)20-10-9-19-18(20)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole has a molecular weight of 360.44 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is sourced from PubChem (CID 15942901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).