1-(3,4-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

C17H18N2O2S — CID 850089

IUPAC1-(3,4-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1C
InChIInChI=1S/C17H18N2O2S/c1-13-8-9-16(12-14(13)2)22(20,21)19-11-10-18-17(19)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3
InChIKeyTXOPYSIJHTWWQT-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.75
Rot. Bonds3

About 1-(3,4-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

1-(3,4-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (PubChem CID 850089) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
PubChem CID850089
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1C
InChIInChI=1S/C17H18N2O2S/c1-13-8-9-16(12-14(13)2)22(20,21)19-11-10-18-17(19)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3
InChIKeyTXOPYSIJHTWWQT-UHFFFAOYSA-N
XLogP2.75
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (CID 850089) is 1-(3,4-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is Cc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The InChIKey is TXOPYSIJHTWWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-13-8-9-16(12-14(13)2)22(20,21)19-11-10-18-17(19)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
1-(3,4-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole has a molecular weight of 314.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is sourced from PubChem (CID 850089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).