2-[4-[(1-ethylimidazol-2-yl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol

C22H34N4O2 — CID 45248150

About 2-[4-[(1-ethylimidazol-2-yl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol

2-[4-[(1-ethylimidazol-2-yl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 45248150) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-[4-[(1-ethylimidazol-2-yl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[(1-ethylimidazol-2-yl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
• PubChem CID: 45248150
• Molecular Formula: C22H34N4O2
• Molecular Weight: 386.54 g/mol
• Exact Mass: 386.27
• IUPAC Name: 2-[4-[(1-ethylimidazol-2-yl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
• SMILES: CCn1ccnc1CN1CCN(Cc2ccc(OC)c(C)c2C)C(CCO)C1
• InChI: InChI=1S/C22H34N4O2/c1-5-25-10-9-23-22(25)16-24-11-12-26(20(15-24)8-13-27)14-19-6-7-21(28-4)18(3)17(19)2/h6-7,9-10,20,27H,5,8,11-16H2,1-4H3
• InChIKey: FEQALAXBUNAZGR-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 53.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.54
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethylimidazol-2-yl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol?

The IUPAC name of 2-[4-[(1-ethylimidazol-2-yl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol (CID 45248150) is 2-[4-[(1-ethylimidazol-2-yl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol.

What is the SMILES notation for 2-[4-[(1-ethylimidazol-2-yl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol?

The canonical SMILES for 2-[4-[(1-ethylimidazol-2-yl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol is CCn1ccnc1CN1CCN(Cc2ccc(OC)c(C)c2C)C(CCO)C1.

What is the InChIKey of 2-[4-[(1-ethylimidazol-2-yl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol?

The InChIKey is FEQALAXBUNAZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-5-25-10-9-23-22(25)16-24-11-12-26(20(15-24)8-13-27)14-19-6-7-21(28-4)18(3)17(19)2/h6-7,9-10,20,27H,5,8,11-16H2,1-4H3.

What are the key properties of 2-[4-[(1-ethylimidazol-2-yl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol?

2-[4-[(1-ethylimidazol-2-yl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 386.54 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(1-ethylimidazol-2-yl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45248150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).