2-[1-(2-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide

C24H20FN3OS — CID 4547762

IUPAC2-[1-(2-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cn1-c1ccccc1F
InChIInChI=1S/C24H20FN3OS/c1-17-9-5-7-13-20(17)26-23(29)16-30-24-27-21(18-10-3-2-4-11-18)15-28(24)22-14-8-6-12-19(22)25/h2-15H,16H2,1H3,(H,26,29)
InChIKeyZOHMKAGOGCGMDE-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.72
Rot. Bonds6

About 2-[1-(2-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide

2-[1-(2-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide (PubChem CID 4547762) has the molecular formula C24H20FN3OS and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
PubChem CID4547762
Molecular FormulaC24H20FN3OS
Molecular Weight417.51 g/mol
Exact Mass417.13
IUPAC Name2-[1-(2-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cn1-c1ccccc1F
InChIInChI=1S/C24H20FN3OS/c1-17-9-5-7-13-20(17)26-23(29)16-30-24-27-21(18-10-3-2-4-11-18)15-28(24)22-14-8-6-12-19(22)25/h2-15H,16H2,1H3,(H,26,29)
InChIKeyZOHMKAGOGCGMDE-UHFFFAOYSA-N
XLogP5.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[1-(2-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide (CID 4547762) is 2-[1-(2-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cn1-c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The InChIKey is ZOHMKAGOGCGMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3OS/c1-17-9-5-7-13-20(17)26-23(29)16-30-24-27-21(18-10-3-2-4-11-18)15-28(24)22-14-8-6-12-19(22)25/h2-15H,16H2,1H3,(H,26,29).
What are the key properties of 2-[1-(2-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
2-[1-(2-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide has a molecular weight of 417.51 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 4547762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).