1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

C18H20N2O3S — CID 972070

IUPAC1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN=C2c2ccccc2)cc1C
InChIInChI=1S/C18H20N2O3S/c1-13-12-17(14(2)11-16(13)23-3)24(21,22)20-10-9-19-18(20)15-7-5-4-6-8-15/h4-8,11-12H,9-10H2,1-3H3
InChIKeySPOWNRZYOGHZCT-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.76
Rot. Bonds4

About 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (PubChem CID 972070) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
PubChem CID972070
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN=C2c2ccccc2)cc1C
InChIInChI=1S/C18H20N2O3S/c1-13-12-17(14(2)11-16(13)23-3)24(21,22)20-10-9-19-18(20)15-7-5-4-6-8-15/h4-8,11-12H,9-10H2,1-3H3
InChIKeySPOWNRZYOGHZCT-UHFFFAOYSA-N
XLogP2.76
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (CID 972070) is 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is COc1cc(C)c(S(=O)(=O)N2CCN=C2c2ccccc2)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The InChIKey is SPOWNRZYOGHZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-12-17(14(2)11-16(13)23-3)24(21,22)20-10-9-19-18(20)15-7-5-4-6-8-15/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole has a molecular weight of 344.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is sourced from PubChem (CID 972070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).