2-benzyl-1-(3-ethoxy-4-fluorophenyl)sulfonyl-4,5-dihydroimidazole

C18H19FN2O3S — CID 2989882

IUPAC2-benzyl-1-(3-ethoxy-4-fluorophenyl)sulfonyl-4,5-dihydroimidazole
SMILESCCOc1cc(S(=O)(=O)N2CCN=C2Cc2ccccc2)ccc1F
InChIInChI=1S/C18H19FN2O3S/c1-2-24-17-13-15(8-9-16(17)19)25(22,23)21-11-10-20-18(21)12-14-6-4-3-5-7-14/h3-9,13H,2,10-12H2,1H3
InChIKeyRWWWTDVYMUONOP-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.87
Rot. Bonds6

About 2-benzyl-1-(3-ethoxy-4-fluorophenyl)sulfonyl-4,5-dihydroimidazole

2-benzyl-1-(3-ethoxy-4-fluorophenyl)sulfonyl-4,5-dihydroimidazole (PubChem CID 2989882) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-benzyl-1-(3-ethoxy-4-fluorophenyl)sulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-benzyl-1-(3-ethoxy-4-fluorophenyl)sulfonyl-4,5-dihydroimidazole
PubChem CID2989882
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name2-benzyl-1-(3-ethoxy-4-fluorophenyl)sulfonyl-4,5-dihydroimidazole
SMILESCCOc1cc(S(=O)(=O)N2CCN=C2Cc2ccccc2)ccc1F
InChIInChI=1S/C18H19FN2O3S/c1-2-24-17-13-15(8-9-16(17)19)25(22,23)21-11-10-20-18(21)12-14-6-4-3-5-7-14/h3-9,13H,2,10-12H2,1H3
InChIKeyRWWWTDVYMUONOP-UHFFFAOYSA-N
XLogP2.87
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(3-ethoxy-4-fluorophenyl)sulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-benzyl-1-(3-ethoxy-4-fluorophenyl)sulfonyl-4,5-dihydroimidazole (CID 2989882) is 2-benzyl-1-(3-ethoxy-4-fluorophenyl)sulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-benzyl-1-(3-ethoxy-4-fluorophenyl)sulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-benzyl-1-(3-ethoxy-4-fluorophenyl)sulfonyl-4,5-dihydroimidazole is CCOc1cc(S(=O)(=O)N2CCN=C2Cc2ccccc2)ccc1F.
What is the InChIKey of 2-benzyl-1-(3-ethoxy-4-fluorophenyl)sulfonyl-4,5-dihydroimidazole?
The InChIKey is RWWWTDVYMUONOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-2-24-17-13-15(8-9-16(17)19)25(22,23)21-11-10-20-18(21)12-14-6-4-3-5-7-14/h3-9,13H,2,10-12H2,1H3.
What are the key properties of 2-benzyl-1-(3-ethoxy-4-fluorophenyl)sulfonyl-4,5-dihydroimidazole?
2-benzyl-1-(3-ethoxy-4-fluorophenyl)sulfonyl-4,5-dihydroimidazole has a molecular weight of 362.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(3-ethoxy-4-fluorophenyl)sulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 2989882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).