1-(4-bromophenyl)sulfonyl-2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole

C16H14BrFN2O2S2 — CID 2148580

IUPAC1-(4-bromophenyl)sulfonyl-2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCN=C1SCc1cccc(F)c1
InChIInChI=1S/C16H14BrFN2O2S2/c17-13-4-6-15(7-5-13)24(21,22)20-9-8-19-16(20)23-11-12-2-1-3-14(18)10-12/h1-7,10H,8-9,11H2
InChIKeyCRYLNEHMVLUTIW-UHFFFAOYSA-N
MW429.34 g/mol
LogP3.88
Rot. Bonds4

About 1-(4-bromophenyl)sulfonyl-2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole

1-(4-bromophenyl)sulfonyl-2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole (PubChem CID 2148580) has the molecular formula C16H14BrFN2O2S2 and a molecular weight of 429.34 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole
PubChem CID2148580
Molecular FormulaC16H14BrFN2O2S2
Molecular Weight429.34 g/mol
Exact Mass427.97
IUPAC Name1-(4-bromophenyl)sulfonyl-2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCN=C1SCc1cccc(F)c1
InChIInChI=1S/C16H14BrFN2O2S2/c17-13-4-6-15(7-5-13)24(21,22)20-9-8-19-16(20)23-11-12-2-1-3-14(18)10-12/h1-7,10H,8-9,11H2
InChIKeyCRYLNEHMVLUTIW-UHFFFAOYSA-N
XLogP3.88
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromophenyl)sulfonyl-2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole (CID 2148580) is 1-(4-bromophenyl)sulfonyl-2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole is O=S(=O)(c1ccc(Br)cc1)N1CCN=C1SCc1cccc(F)c1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole?
The InChIKey is CRYLNEHMVLUTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O2S2/c17-13-4-6-15(7-5-13)24(21,22)20-9-8-19-16(20)23-11-12-2-1-3-14(18)10-12/h1-7,10H,8-9,11H2.
What are the key properties of 1-(4-bromophenyl)sulfonyl-2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole?
1-(4-bromophenyl)sulfonyl-2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole has a molecular weight of 429.34 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole is sourced from PubChem (CID 2148580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).