2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone

C20H26N4O — CID 97154142

About 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone

2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 97154142) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone
• PubChem CID: 97154142
• Molecular Formula: C20H26N4O
• Molecular Weight: 338.45 g/mol
• Exact Mass: 338.21
• IUPAC Name: 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone
• SMILES: Cn1ccnc1CN1CCN(C(=O)C[C@H]2CCc3ccccc32)CC1
• InChI: InChI=1S/C20H26N4O/c1-22-9-8-21-19(22)15-23-10-12-24(13-11-23)20(25)14-17-7-6-16-4-2-3-5-18(16)17/h2-5,8-9,17H,6-7,10-15H2,1H3/t17-/m1/s1
• InChIKey: WWAHFIJKFZOIGQ-QGZVFWFLSA-N
• XLogP: 2.18
• TPSA: 41.37 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.45
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone?

The IUPAC name of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone (CID 97154142) is 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone?

The canonical SMILES for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone is Cn1ccnc1CN1CCN(C(=O)C[C@H]2CCc3ccccc32)CC1.

What is the InChIKey of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone?

The InChIKey is WWAHFIJKFZOIGQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4O/c1-22-9-8-21-19(22)15-23-10-12-24(13-11-23)20(25)14-17-7-6-16-4-2-3-5-18(16)17/h2-5,8-9,17H,6-7,10-15H2,1H3/t17-/m1/s1.

What are the key properties of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone?

2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 338.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 97154142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).