1-(5-bromo-2-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole

C12H15BrN2O3S — CID 6458119

IUPAC1-(5-bromo-2-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N1CCN=C1C
InChIInChI=1S/C12H15BrN2O3S/c1-3-18-11-5-4-10(13)8-12(11)19(16,17)15-7-6-14-9(15)2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyPKDVVTBWGHFHNW-UHFFFAOYSA-N
MW347.23 g/mol
LogP2.27
Rot. Bonds4

About 1-(5-bromo-2-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole

1-(5-bromo-2-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole (PubChem CID 6458119) has the molecular formula C12H15BrN2O3S and a molecular weight of 347.23 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
PubChem CID6458119
Molecular FormulaC12H15BrN2O3S
Molecular Weight347.23 g/mol
Exact Mass346.00
IUPAC Name1-(5-bromo-2-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N1CCN=C1C
InChIInChI=1S/C12H15BrN2O3S/c1-3-18-11-5-4-10(13)8-12(11)19(16,17)15-7-6-14-9(15)2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyPKDVVTBWGHFHNW-UHFFFAOYSA-N
XLogP2.27
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole (CID 6458119) is 1-(5-bromo-2-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole is CCOc1ccc(Br)cc1S(=O)(=O)N1CCN=C1C.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
The InChIKey is PKDVVTBWGHFHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3S/c1-3-18-11-5-4-10(13)8-12(11)19(16,17)15-7-6-14-9(15)2/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 1-(5-bromo-2-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
1-(5-bromo-2-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole has a molecular weight of 347.23 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 6458119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).