2-(3,5-dibromo-2-methoxyphenyl)-1-methylsulfonylimidazole

C11H10Br2N2O3S — CID 110531880

IUPAC2-(3,5-dibromo-2-methoxyphenyl)-1-methylsulfonylimidazole
SMILESCOc1c(Br)cc(Br)cc1-c1nccn1S(C)(=O)=O
InChIInChI=1S/C11H10Br2N2O3S/c1-18-10-8(5-7(12)6-9(10)13)11-14-3-4-15(11)19(2,16)17/h3-6H,1-2H3
InChIKeyPAPOSIDEINQDHA-UHFFFAOYSA-N
MW410.09 g/mol
LogP2.89
Rot. Bonds3

About 2-(3,5-dibromo-2-methoxyphenyl)-1-methylsulfonylimidazole

2-(3,5-dibromo-2-methoxyphenyl)-1-methylsulfonylimidazole (PubChem CID 110531880) has the molecular formula C11H10Br2N2O3S and a molecular weight of 410.09 g/mol. Its IUPAC name is 2-(3,5-dibromo-2-methoxyphenyl)-1-methylsulfonylimidazole.

Molecular Properties

Compound Name2-(3,5-dibromo-2-methoxyphenyl)-1-methylsulfonylimidazole
PubChem CID110531880
Molecular FormulaC11H10Br2N2O3S
Molecular Weight410.09 g/mol
Exact Mass407.88
IUPAC Name2-(3,5-dibromo-2-methoxyphenyl)-1-methylsulfonylimidazole
SMILESCOc1c(Br)cc(Br)cc1-c1nccn1S(C)(=O)=O
InChIInChI=1S/C11H10Br2N2O3S/c1-18-10-8(5-7(12)6-9(10)13)11-14-3-4-15(11)19(2,16)17/h3-6H,1-2H3
InChIKeyPAPOSIDEINQDHA-UHFFFAOYSA-N
XLogP2.89
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.09
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-2-methoxyphenyl)-1-methylsulfonylimidazole?
The IUPAC name of 2-(3,5-dibromo-2-methoxyphenyl)-1-methylsulfonylimidazole (CID 110531880) is 2-(3,5-dibromo-2-methoxyphenyl)-1-methylsulfonylimidazole.
What is the SMILES notation for 2-(3,5-dibromo-2-methoxyphenyl)-1-methylsulfonylimidazole?
The canonical SMILES for 2-(3,5-dibromo-2-methoxyphenyl)-1-methylsulfonylimidazole is COc1c(Br)cc(Br)cc1-c1nccn1S(C)(=O)=O.
What is the InChIKey of 2-(3,5-dibromo-2-methoxyphenyl)-1-methylsulfonylimidazole?
The InChIKey is PAPOSIDEINQDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2O3S/c1-18-10-8(5-7(12)6-9(10)13)11-14-3-4-15(11)19(2,16)17/h3-6H,1-2H3.
What are the key properties of 2-(3,5-dibromo-2-methoxyphenyl)-1-methylsulfonylimidazole?
2-(3,5-dibromo-2-methoxyphenyl)-1-methylsulfonylimidazole has a molecular weight of 410.09 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-2-methoxyphenyl)-1-methylsulfonylimidazole is sourced from PubChem (CID 110531880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).