2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide

C23H27N3OS — CID 8004014

About 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide

2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide (PubChem CID 8004014) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
• PubChem CID: 8004014
• Molecular Formula: C23H27N3OS
• Molecular Weight: 393.56 g/mol
• Exact Mass: 393.19
• IUPAC Name: 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
• SMILES: Cc1nc(SCC(=O)Nc2ccccc2-c2ccccc2)n(CC(C)C)c1C
• InChI: InChI=1S/C23H27N3OS/c1-16(2)14-26-18(4)17(3)24-23(26)28-15-22(27)25-21-13-9-8-12-20(21)19-10-6-5-7-11-19/h5-13,16H,14-15H2,1-4H3,(H,25,27)
• InChIKey: KVHGUSXJQLRQET-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	393.56
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide?

The IUPAC name of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide (CID 8004014) is 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide.

What is the SMILES notation for 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide?

The canonical SMILES for 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide is Cc1nc(SCC(=O)Nc2ccccc2-c2ccccc2)n(CC(C)C)c1C.

What is the InChIKey of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide?

The InChIKey is KVHGUSXJQLRQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-16(2)14-26-18(4)17(3)24-23(26)28-15-22(27)25-21-13-9-8-12-20(21)19-10-6-5-7-11-19/h5-13,16H,14-15H2,1-4H3,(H,25,27).

What are the key properties of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide?

2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide has a molecular weight of 393.56 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 8004014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).