1-(2-methylpiperazin-1-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone;dihydrochloride

C18H23Cl2N5OS — CID 119472696

About 1-(2-methylpiperazin-1-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone;dihydrochloride

1-(2-methylpiperazin-1-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone;dihydrochloride (PubChem CID 119472696) has the molecular formula C18H23Cl2N5OS and a molecular weight of 428.39 g/mol. Its IUPAC name is 1-(2-methylpiperazin-1-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone;dihydrochloride.

Molecular Properties

• Compound Name: 1-(2-methylpiperazin-1-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone;dihydrochloride
• PubChem CID: 119472696
• Molecular Formula: C18H23Cl2N5OS
• Molecular Weight: 428.39 g/mol
• Exact Mass: 427.10
• IUPAC Name: 1-(2-methylpiperazin-1-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone;dihydrochloride
• SMILES: Cc1ncsc1-c1nc2ccccc2n1CC(=O)N1CCNCC1C.Cl.Cl
• InChI: InChI=1S/C18H21N5OS.2ClH/c1-12-9-19-7-8-22(12)16(24)10-23-15-6-4-3-5-14(15)21-18(23)17-13(2)20-11-25-17;;/h3-6,11-12,19H,7-10H2,1-2H3;2*1H
• InChIKey: LEBKEODCAZOABL-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.39
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperazin-1-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone;dihydrochloride?

The IUPAC name of 1-(2-methylpiperazin-1-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone;dihydrochloride (CID 119472696) is 1-(2-methylpiperazin-1-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone;dihydrochloride.

What is the SMILES notation for 1-(2-methylpiperazin-1-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone;dihydrochloride?

The canonical SMILES for 1-(2-methylpiperazin-1-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone;dihydrochloride is Cc1ncsc1-c1nc2ccccc2n1CC(=O)N1CCNCC1C.Cl.Cl.

What is the InChIKey of 1-(2-methylpiperazin-1-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone;dihydrochloride?

The InChIKey is LEBKEODCAZOABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS.2ClH/c1-12-9-19-7-8-22(12)16(24)10-23-15-6-4-3-5-14(15)21-18(23)17-13(2)20-11-25-17;;/h3-6,11-12,19H,7-10H2,1-2H3;2*1H.

What are the key properties of 1-(2-methylpiperazin-1-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone;dihydrochloride?

1-(2-methylpiperazin-1-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone;dihydrochloride has a molecular weight of 428.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methylpiperazin-1-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119472696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).