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

C21H15FN2OS2 — CID 4290084

IUPAC2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone
SMILESO=C(CSc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C21H15FN2OS2/c22-16-8-10-17(11-9-16)24-13-18(15-5-2-1-3-6-15)23-21(24)27-14-19(25)20-7-4-12-26-20/h1-13H,14H2
InChIKeyXXZWWIWQDSWVIJ-UHFFFAOYSA-N
MW394.50 g/mol
LogP5.71
Rot. Bonds6

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

2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone (PubChem CID 4290084) has the molecular formula C21H15FN2OS2 and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone
PubChem CID4290084
Molecular FormulaC21H15FN2OS2
Molecular Weight394.50 g/mol
Exact Mass394.06
IUPAC Name2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone
SMILESO=C(CSc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C21H15FN2OS2/c22-16-8-10-17(11-9-16)24-13-18(15-5-2-1-3-6-15)23-21(24)27-14-19(25)20-7-4-12-26-20/h1-13H,14H2
InChIKeyXXZWWIWQDSWVIJ-UHFFFAOYSA-N
XLogP5.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone (CID 4290084) is 2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone is O=C(CSc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)c1cccs1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone?
The InChIKey is XXZWWIWQDSWVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2OS2/c22-16-8-10-17(11-9-16)24-13-18(15-5-2-1-3-6-15)23-21(24)27-14-19(25)20-7-4-12-26-20/h1-13H,14H2.
What are the key properties of 2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone?
2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone has a molecular weight of 394.50 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 4290084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).