2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C22H19N3O2S — CID 990849

IUPAC2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)NCc1ccco1
InChIInChI=1S/C22H19N3O2S/c26-21(23-14-19-12-7-13-27-19)16-28-22-24-15-20(17-8-3-1-4-9-17)25(22)18-10-5-2-6-11-18/h1-13,15H,14,16H2,(H,23,26)
InChIKeyFXKYZLLCTZOZEG-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.54
Rot. Bonds7

About 2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 990849) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID990849
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)NCc1ccco1
InChIInChI=1S/C22H19N3O2S/c26-21(23-14-19-12-7-13-27-19)16-28-22-24-15-20(17-8-3-1-4-9-17)25(22)18-10-5-2-6-11-18/h1-13,15H,14,16H2,(H,23,26)
InChIKeyFXKYZLLCTZOZEG-UHFFFAOYSA-N
XLogP4.54
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 990849) is 2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)NCc1ccco1.
What is the InChIKey of 2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is FXKYZLLCTZOZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-21(23-14-19-12-7-13-27-19)16-28-22-24-15-20(17-8-3-1-4-9-17)25(22)18-10-5-2-6-11-18/h1-13,15H,14,16H2,(H,23,26).
What are the key properties of 2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 389.48 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 990849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).