1-(3-bromo-2,4,6-trimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

C18H19BrN2O2S — CID 91669838

IUPAC1-(3-bromo-2,4,6-trimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCc1cc(C)c(S(=O)(=O)N2CCN=C2c2ccccc2)c(C)c1Br
InChIInChI=1S/C18H19BrN2O2S/c1-12-11-13(2)17(14(3)16(12)19)24(22,23)21-10-9-20-18(21)15-7-5-4-6-8-15/h4-8,11H,9-10H2,1-3H3
InChIKeyOSHVORGEHSTUGW-UHFFFAOYSA-N
MW407.33 g/mol
LogP3.83
Rot. Bonds3

About 1-(3-bromo-2,4,6-trimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

1-(3-bromo-2,4,6-trimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (PubChem CID 91669838) has the molecular formula C18H19BrN2O2S and a molecular weight of 407.33 g/mol. Its IUPAC name is 1-(3-bromo-2,4,6-trimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(3-bromo-2,4,6-trimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
PubChem CID91669838
Molecular FormulaC18H19BrN2O2S
Molecular Weight407.33 g/mol
Exact Mass406.04
IUPAC Name1-(3-bromo-2,4,6-trimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCc1cc(C)c(S(=O)(=O)N2CCN=C2c2ccccc2)c(C)c1Br
InChIInChI=1S/C18H19BrN2O2S/c1-12-11-13(2)17(14(3)16(12)19)24(22,23)21-10-9-20-18(21)15-7-5-4-6-8-15/h4-8,11H,9-10H2,1-3H3
InChIKeyOSHVORGEHSTUGW-UHFFFAOYSA-N
XLogP3.83
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4,6-trimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The IUPAC name of 1-(3-bromo-2,4,6-trimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (CID 91669838) is 1-(3-bromo-2,4,6-trimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(3-bromo-2,4,6-trimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(3-bromo-2,4,6-trimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is Cc1cc(C)c(S(=O)(=O)N2CCN=C2c2ccccc2)c(C)c1Br.
What is the InChIKey of 1-(3-bromo-2,4,6-trimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The InChIKey is OSHVORGEHSTUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2S/c1-12-11-13(2)17(14(3)16(12)19)24(22,23)21-10-9-20-18(21)15-7-5-4-6-8-15/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 1-(3-bromo-2,4,6-trimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
1-(3-bromo-2,4,6-trimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole has a molecular weight of 407.33 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,4,6-trimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is sourced from PubChem (CID 91669838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).