2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide

C24H24N4O2S — CID 112820398

About 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide

2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 112820398) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 112820398
• Molecular Formula: C24H24N4O2S
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.16
• IUPAC Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
• SMILES: Cc1cc(C)cc(-n2ccnc2SCC(=O)N(Cc2cccnc2)Cc2ccco2)c1
• InChI: InChI=1S/C24H24N4O2S/c1-18-11-19(2)13-21(12-18)28-9-8-26-24(28)31-17-23(29)27(16-22-6-4-10-30-22)15-20-5-3-7-25-14-20/h3-14H,15-17H2,1-2H3
• InChIKey: HTBJKUVBWYKFPA-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 64.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide?

The IUPAC name of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide (CID 112820398) is 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide.

What is the SMILES notation for 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide?

The canonical SMILES for 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide is Cc1cc(C)cc(-n2ccnc2SCC(=O)N(Cc2cccnc2)Cc2ccco2)c1.

What is the InChIKey of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide?

The InChIKey is HTBJKUVBWYKFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-18-11-19(2)13-21(12-18)28-9-8-26-24(28)31-17-23(29)27(16-22-6-4-10-30-22)15-20-5-3-7-25-14-20/h3-14H,15-17H2,1-2H3.

What are the key properties of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide?

2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 432.55 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 112820398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).