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

C17H17FN2O3S — CID 15942902

IUPAC1-(3-ethoxy-4-fluorophenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCCOc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1F
InChIInChI=1S/C17H17FN2O3S/c1-2-23-16-12-14(8-9-15(16)18)24(21,22)20-11-10-19-17(20)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3
InChIKeyNPCSOVKQWRZWMH-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.68
Rot. Bonds5

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

1-(3-ethoxy-4-fluorophenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (PubChem CID 15942902) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-(3-ethoxy-4-fluorophenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(3-ethoxy-4-fluorophenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
PubChem CID15942902
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name1-(3-ethoxy-4-fluorophenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCCOc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1F
InChIInChI=1S/C17H17FN2O3S/c1-2-23-16-12-14(8-9-15(16)18)24(21,22)20-11-10-19-17(20)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3
InChIKeyNPCSOVKQWRZWMH-UHFFFAOYSA-N
XLogP2.68
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-fluorophenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The IUPAC name of 1-(3-ethoxy-4-fluorophenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (CID 15942902) is 1-(3-ethoxy-4-fluorophenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(3-ethoxy-4-fluorophenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(3-ethoxy-4-fluorophenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is CCOc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1F.
What is the InChIKey of 1-(3-ethoxy-4-fluorophenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The InChIKey is NPCSOVKQWRZWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-2-23-16-12-14(8-9-15(16)18)24(21,22)20-11-10-19-17(20)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3.
What are the key properties of 1-(3-ethoxy-4-fluorophenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
1-(3-ethoxy-4-fluorophenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole has a molecular weight of 348.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-fluorophenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is sourced from PubChem (CID 15942902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).