2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-phenylethanone

C23H17FN2OS — CID 3334815

IUPAC2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-phenylethanone
SMILESO=C(CSc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C23H17FN2OS/c24-19-11-13-20(14-12-19)26-15-21(17-7-3-1-4-8-17)25-23(26)28-16-22(27)18-9-5-2-6-10-18/h1-15H,16H2
InChIKeyMGCWMNYWMSIASH-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.65
Rot. Bonds6

About 2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-phenylethanone

2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-phenylethanone (PubChem CID 3334815) has the molecular formula C23H17FN2OS and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-phenylethanone
PubChem CID3334815
Molecular FormulaC23H17FN2OS
Molecular Weight388.47 g/mol
Exact Mass388.10
IUPAC Name2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-phenylethanone
SMILESO=C(CSc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C23H17FN2OS/c24-19-11-13-20(14-12-19)26-15-21(17-7-3-1-4-8-17)25-23(26)28-16-22(27)18-9-5-2-6-10-18/h1-15H,16H2
InChIKeyMGCWMNYWMSIASH-UHFFFAOYSA-N
XLogP5.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-phenylethanone?
The IUPAC name of 2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-phenylethanone (CID 3334815) is 2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-phenylethanone.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-phenylethanone?
The canonical SMILES for 2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-phenylethanone is O=C(CSc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-phenylethanone?
The InChIKey is MGCWMNYWMSIASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2OS/c24-19-11-13-20(14-12-19)26-15-21(17-7-3-1-4-8-17)25-23(26)28-16-22(27)18-9-5-2-6-10-18/h1-15H,16H2.
What are the key properties of 2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-phenylethanone?
2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-phenylethanone has a molecular weight of 388.47 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-phenylethanone is sourced from PubChem (CID 3334815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).