2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-1-(2-methylprop-1-enyl)imidazol-2-yl]-N-phenylacetamide;dihydrochloride

C25H32Cl2N4O2 — CID 139886418

About 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-1-(2-methylprop-1-enyl)imidazol-2-yl]-N-phenylacetamide;dihydrochloride

2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-1-(2-methylprop-1-enyl)imidazol-2-yl]-N-phenylacetamide;dihydrochloride (PubChem CID 139886418) has the molecular formula C25H32Cl2N4O2 and a molecular weight of 491.46 g/mol. Its IUPAC name is 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-1-(2-methylprop-1-enyl)imidazol-2-yl]-N-phenylacetamide;dihydrochloride.

Molecular Properties

• Compound Name: 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-1-(2-methylprop-1-enyl)imidazol-2-yl]-N-phenylacetamide;dihydrochloride
• PubChem CID: 139886418
• Molecular Formula: C25H32Cl2N4O2
• Molecular Weight: 491.46 g/mol
• Exact Mass: 490.19
• IUPAC Name: 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-1-(2-methylprop-1-enyl)imidazol-2-yl]-N-phenylacetamide;dihydrochloride
• SMILES: CC(C)=Cn1cc(CCNC[C@H](O)c2ccccc2)nc1CC(=O)Nc1ccccc1.Cl.Cl
• InChI: InChI=1S/C25H30N4O2.2ClH/c1-19(2)17-29-18-22(13-14-26-16-23(30)20-9-5-3-6-10-20)27-24(29)15-25(31)28-21-11-7-4-8-12-21;;/h3-12,17-18,23,26,30H,13-16H2,1-2H3,(H,28,31);2*1H/t23-;;/m0../s1
• InChIKey: NBKXZYMWZJIBBS-IFUPQEAVSA-N
• XLogP: 4.65
• TPSA: 79.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.46
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-1-(2-methylprop-1-enyl)imidazol-2-yl]-N-phenylacetamide;dihydrochloride?

The IUPAC name of 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-1-(2-methylprop-1-enyl)imidazol-2-yl]-N-phenylacetamide;dihydrochloride (CID 139886418) is 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-1-(2-methylprop-1-enyl)imidazol-2-yl]-N-phenylacetamide;dihydrochloride.

What is the SMILES notation for 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-1-(2-methylprop-1-enyl)imidazol-2-yl]-N-phenylacetamide;dihydrochloride?

The canonical SMILES for 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-1-(2-methylprop-1-enyl)imidazol-2-yl]-N-phenylacetamide;dihydrochloride is CC(C)=Cn1cc(CCNC[C@H](O)c2ccccc2)nc1CC(=O)Nc1ccccc1.Cl.Cl.

What is the InChIKey of 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-1-(2-methylprop-1-enyl)imidazol-2-yl]-N-phenylacetamide;dihydrochloride?

The InChIKey is NBKXZYMWZJIBBS-IFUPQEAVSA-N. The full InChI is InChI=1S/C25H30N4O2.2ClH/c1-19(2)17-29-18-22(13-14-26-16-23(30)20-9-5-3-6-10-20)27-24(29)15-25(31)28-21-11-7-4-8-12-21;;/h3-12,17-18,23,26,30H,13-16H2,1-2H3,(H,28,31);2*1H/t23-;;/m0../s1.

What are the key properties of 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-1-(2-methylprop-1-enyl)imidazol-2-yl]-N-phenylacetamide;dihydrochloride?

2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-1-(2-methylprop-1-enyl)imidazol-2-yl]-N-phenylacetamide;dihydrochloride has a molecular weight of 491.46 g/mol, XLogP of 4.65, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-1-(2-methylprop-1-enyl)imidazol-2-yl]-N-phenylacetamide;dihydrochloride is sourced from PubChem (CID 139886418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).