2-[3-[[(1R)-1-(1-benzyl-4-phenyl-4,5-dihydroimidazol-2-yl)-2,2-dimethylpropyl]amino]-2-hydroxypropyl]isoindole-1,3-dione

C32H36N4O3 — CID 71081592

About 2-[3-[[(1R)-1-(1-benzyl-4-phenyl-4,5-dihydroimidazol-2-yl)-2,2-dimethylpropyl]amino]-2-hydroxypropyl]isoindole-1,3-dione

2-[3-[[(1R)-1-(1-benzyl-4-phenyl-4,5-dihydroimidazol-2-yl)-2,2-dimethylpropyl]amino]-2-hydroxypropyl]isoindole-1,3-dione (PubChem CID 71081592) has the molecular formula C32H36N4O3 and a molecular weight of 524.67 g/mol. Its IUPAC name is 2-[3-[[(1R)-1-(1-benzyl-4-phenyl-4,5-dihydroimidazol-2-yl)-2,2-dimethylpropyl]amino]-2-hydroxypropyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[3-[[(1R)-1-(1-benzyl-4-phenyl-4,5-dihydroimidazol-2-yl)-2,2-dimethylpropyl]amino]-2-hydroxypropyl]isoindole-1,3-dione
• PubChem CID: 71081592
• Molecular Formula: C32H36N4O3
• Molecular Weight: 524.67 g/mol
• Exact Mass: 524.28
• IUPAC Name: 2-[3-[[(1R)-1-(1-benzyl-4-phenyl-4,5-dihydroimidazol-2-yl)-2,2-dimethylpropyl]amino]-2-hydroxypropyl]isoindole-1,3-dione
• SMILES: CC(C)(C)[C@@H](NCC(O)CN1C(=O)c2ccccc2C1=O)C1=NC(c2ccccc2)CN1Cc1ccccc1
• InChI: InChI=1S/C32H36N4O3/c1-32(2,3)28(33-18-24(37)20-36-30(38)25-16-10-11-17-26(25)31(36)39)29-34-27(23-14-8-5-9-15-23)21-35(29)19-22-12-6-4-7-13-22/h4-17,24,27-28,33,37H,18-21H2,1-3H3/t24?,27?,28-/m0/s1
• InChIKey: FMUBPLCEJWUUSH-NMPMCGMKSA-N
• XLogP: 4.30
• TPSA: 85.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.67
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(1R)-1-(1-benzyl-4-phenyl-4,5-dihydroimidazol-2-yl)-2,2-dimethylpropyl]amino]-2-hydroxypropyl]isoindole-1,3-dione?

The IUPAC name of 2-[3-[[(1R)-1-(1-benzyl-4-phenyl-4,5-dihydroimidazol-2-yl)-2,2-dimethylpropyl]amino]-2-hydroxypropyl]isoindole-1,3-dione (CID 71081592) is 2-[3-[[(1R)-1-(1-benzyl-4-phenyl-4,5-dihydroimidazol-2-yl)-2,2-dimethylpropyl]amino]-2-hydroxypropyl]isoindole-1,3-dione.

What is the SMILES notation for 2-[3-[[(1R)-1-(1-benzyl-4-phenyl-4,5-dihydroimidazol-2-yl)-2,2-dimethylpropyl]amino]-2-hydroxypropyl]isoindole-1,3-dione?

The canonical SMILES for 2-[3-[[(1R)-1-(1-benzyl-4-phenyl-4,5-dihydroimidazol-2-yl)-2,2-dimethylpropyl]amino]-2-hydroxypropyl]isoindole-1,3-dione is CC(C)(C)[C@@H](NCC(O)CN1C(=O)c2ccccc2C1=O)C1=NC(c2ccccc2)CN1Cc1ccccc1.

What is the InChIKey of 2-[3-[[(1R)-1-(1-benzyl-4-phenyl-4,5-dihydroimidazol-2-yl)-2,2-dimethylpropyl]amino]-2-hydroxypropyl]isoindole-1,3-dione?

The InChIKey is FMUBPLCEJWUUSH-NMPMCGMKSA-N. The full InChI is InChI=1S/C32H36N4O3/c1-32(2,3)28(33-18-24(37)20-36-30(38)25-16-10-11-17-26(25)31(36)39)29-34-27(23-14-8-5-9-15-23)21-35(29)19-22-12-6-4-7-13-22/h4-17,24,27-28,33,37H,18-21H2,1-3H3/t24?,27?,28-/m0/s1.

What are the key properties of 2-[3-[[(1R)-1-(1-benzyl-4-phenyl-4,5-dihydroimidazol-2-yl)-2,2-dimethylpropyl]amino]-2-hydroxypropyl]isoindole-1,3-dione?

2-[3-[[(1R)-1-(1-benzyl-4-phenyl-4,5-dihydroimidazol-2-yl)-2,2-dimethylpropyl]amino]-2-hydroxypropyl]isoindole-1,3-dione has a molecular weight of 524.67 g/mol, XLogP of 4.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[(1R)-1-(1-benzyl-4-phenyl-4,5-dihydroimidazol-2-yl)-2,2-dimethylpropyl]amino]-2-hydroxypropyl]isoindole-1,3-dione is sourced from PubChem (CID 71081592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).