1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

C17H17BrN2O4S — CID 991867

IUPAC1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCOc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)c(OC)cc1Br
InChIInChI=1S/C17H17BrN2O4S/c1-23-14-11-16(15(24-2)10-13(14)18)25(21,22)20-9-8-19-17(20)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyDMHKCDCSPKIVON-UHFFFAOYSA-N
MW425.30 g/mol
LogP2.92
Rot. Bonds5

About 1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (PubChem CID 991867) has the molecular formula C17H17BrN2O4S and a molecular weight of 425.30 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
PubChem CID991867
Molecular FormulaC17H17BrN2O4S
Molecular Weight425.30 g/mol
Exact Mass424.01
IUPAC Name1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCOc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)c(OC)cc1Br
InChIInChI=1S/C17H17BrN2O4S/c1-23-14-11-16(15(24-2)10-13(14)18)25(21,22)20-9-8-19-17(20)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyDMHKCDCSPKIVON-UHFFFAOYSA-N
XLogP2.92
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (CID 991867) is 1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is COc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)c(OC)cc1Br.
What is the InChIKey of 1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The InChIKey is DMHKCDCSPKIVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4S/c1-23-14-11-16(15(24-2)10-13(14)18)25(21,22)20-9-8-19-17(20)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole has a molecular weight of 425.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is sourced from PubChem (CID 991867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).