2-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-4,5-dihydroimidazole

C18H20N2O2S — CID 971643

IUPAC2-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-4,5-dihydroimidazole
SMILESCc1cc(C)c(S(=O)(=O)N2CCN=C2c2ccccc2)c(C)c1
InChIInChI=1S/C18H20N2O2S/c1-13-11-14(2)17(15(3)12-13)23(21,22)20-10-9-19-18(20)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3
InChIKeyRFUZDRQVKLJMDB-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.06
Rot. Bonds3

About 2-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-4,5-dihydroimidazole

2-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-4,5-dihydroimidazole (PubChem CID 971643) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-4,5-dihydroimidazole
PubChem CID971643
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name2-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-4,5-dihydroimidazole
SMILESCc1cc(C)c(S(=O)(=O)N2CCN=C2c2ccccc2)c(C)c1
InChIInChI=1S/C18H20N2O2S/c1-13-11-14(2)17(15(3)12-13)23(21,22)20-10-9-19-18(20)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3
InChIKeyRFUZDRQVKLJMDB-UHFFFAOYSA-N
XLogP3.06
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-4,5-dihydroimidazole (CID 971643) is 2-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-4,5-dihydroimidazole is Cc1cc(C)c(S(=O)(=O)N2CCN=C2c2ccccc2)c(C)c1.
What is the InChIKey of 2-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-4,5-dihydroimidazole?
The InChIKey is RFUZDRQVKLJMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-11-14(2)17(15(3)12-13)23(21,22)20-10-9-19-18(20)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 2-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-4,5-dihydroimidazole?
2-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-4,5-dihydroimidazole has a molecular weight of 328.44 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 971643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).