2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide

C23H28N6OS — CID 18271572

About 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide

2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide (PubChem CID 18271572) has the molecular formula C23H28N6OS and a molecular weight of 436.59 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
• PubChem CID: 18271572
• Molecular Formula: C23H28N6OS
• Molecular Weight: 436.59 g/mol
• Exact Mass: 436.20
• IUPAC Name: 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
• SMILES: Cc1ccc(-n2ccnc2SCC(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1C
• InChI: InChI=1S/C23H28N6OS/c1-17-4-6-20(14-18(17)2)29-9-8-24-23(29)31-16-22(30)26-19-5-7-21(25-15-19)28-12-10-27(3)11-13-28/h4-9,14-15H,10-13,16H2,1-3H3,(H,26,30)
• InChIKey: GQWPBZKYRPNKRK-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 66.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.59
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide?

The IUPAC name of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide (CID 18271572) is 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide.

What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide?

The canonical SMILES for 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide is Cc1ccc(-n2ccnc2SCC(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1C.

What is the InChIKey of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide?

The InChIKey is GQWPBZKYRPNKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6OS/c1-17-4-6-20(14-18(17)2)29-9-8-24-23(29)31-16-22(30)26-19-5-7-21(25-15-19)28-12-10-27(3)11-13-28/h4-9,14-15H,10-13,16H2,1-3H3,(H,26,30).

What are the key properties of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide?

2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide has a molecular weight of 436.59 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 18271572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).