2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide

C27H29N5O2S — CID 42918637

About 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide

2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide (PubChem CID 42918637) has the molecular formula C27H29N5O2S and a molecular weight of 487.63 g/mol. Its IUPAC name is 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide
• PubChem CID: 42918637
• Molecular Formula: C27H29N5O2S
• Molecular Weight: 487.63 g/mol
• Exact Mass: 487.20
• IUPAC Name: 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide
• SMILES: Cc1nc(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)n(CC2CCCO2)c1C
• InChI: InChI=1S/C27H29N5O2S/c1-19-20(2)31(17-23-14-9-15-34-23)27(28-19)35-18-26(33)29-25-16-24(21-10-5-3-6-11-21)30-32(25)22-12-7-4-8-13-22/h3-8,10-13,16,23H,9,14-15,17-18H2,1-2H3,(H,29,33)
• InChIKey: GKZHDDXFVHPVGY-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.63
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide?

The IUPAC name of 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide (CID 42918637) is 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide.

What is the SMILES notation for 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide?

The canonical SMILES for 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide is Cc1nc(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)n(CC2CCCO2)c1C.

What is the InChIKey of 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide?

The InChIKey is GKZHDDXFVHPVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2S/c1-19-20(2)31(17-23-14-9-15-34-23)27(28-19)35-18-26(33)29-25-16-24(21-10-5-3-6-11-21)30-32(25)22-12-7-4-8-13-22/h3-8,10-13,16,23H,9,14-15,17-18H2,1-2H3,(H,29,33).

What are the key properties of 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide?

2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide has a molecular weight of 487.63 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 42918637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).