2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride

C20H32Cl2N4O — CID 119887263

About 2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride

2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119887263) has the molecular formula C20H32Cl2N4O and a molecular weight of 415.41 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

• Compound Name: 2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
• PubChem CID: 119887263
• Molecular Formula: C20H32Cl2N4O
• Molecular Weight: 415.41 g/mol
• Exact Mass: 414.20
• IUPAC Name: 2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
• SMILES: CNCC(C)C(=O)N1CCCC(c2nc3ccccc3n2C(C)C)C1.Cl.Cl
• InChI: InChI=1S/C20H30N4O.2ClH/c1-14(2)24-18-10-6-5-9-17(18)22-19(24)16-8-7-11-23(13-16)20(25)15(3)12-21-4;;/h5-6,9-10,14-16,21H,7-8,11-13H2,1-4H3;2*1H
• InChIKey: PRVVADMTLDIFJD-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.41
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride?

The IUPAC name of 2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride (CID 119887263) is 2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride.

What is the SMILES notation for 2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride?

The canonical SMILES for 2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride is CNCC(C)C(=O)N1CCCC(c2nc3ccccc3n2C(C)C)C1.Cl.Cl.

What is the InChIKey of 2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride?

The InChIKey is PRVVADMTLDIFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O.2ClH/c1-14(2)24-18-10-6-5-9-17(18)22-19(24)16-8-7-11-23(13-16)20(25)15(3)12-21-4;;/h5-6,9-10,14-16,21H,7-8,11-13H2,1-4H3;2*1H.

What are the key properties of 2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride?

2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 415.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119887263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).