2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride

C19H26Cl2N6OS — CID 120877465

About 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride

2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 120877465) has the molecular formula C19H26Cl2N6OS and a molecular weight of 457.43 g/mol. Its IUPAC name is 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

• Compound Name: 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride
• PubChem CID: 120877465
• Molecular Formula: C19H26Cl2N6OS
• Molecular Weight: 457.43 g/mol
• Exact Mass: 456.13
• IUPAC Name: 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride
• SMILES: Cc1ccc2nc(CSCC(=O)N3CCNCC3c3nccn3C)cn2c1.Cl.Cl
• InChI: InChI=1S/C19H24N6OS.2ClH/c1-14-3-4-17-22-15(11-24(17)10-14)12-27-13-18(26)25-8-5-20-9-16(25)19-21-6-7-23(19)2;;/h3-4,6-7,10-11,16,20H,5,8-9,12-13H2,1-2H3;2*1H
• InChIKey: IEOMCOUQRAASNH-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 67.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.43
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride?

The IUPAC name of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride (CID 120877465) is 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride.

What is the SMILES notation for 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride?

The canonical SMILES for 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride is Cc1ccc2nc(CSCC(=O)N3CCNCC3c3nccn3C)cn2c1.Cl.Cl.

What is the InChIKey of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride?

The InChIKey is IEOMCOUQRAASNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS.2ClH/c1-14-3-4-17-22-15(11-24(17)10-14)12-27-13-18(26)25-8-5-20-9-16(25)19-21-6-7-23(19)2;;/h3-4,6-7,10-11,16,20H,5,8-9,12-13H2,1-2H3;2*1H.

What are the key properties of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride?

2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 457.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 120877465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).