3-[(2S)-3-[3-[(2S)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-2-oxobenzimidazol-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

C23H30N6O7 — CID 40593052

About 3-[(2S)-3-[3-[(2S)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-2-oxobenzimidazol-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

3-[(2S)-3-[3-[(2S)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-2-oxobenzimidazol-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 40593052) has the molecular formula C23H30N6O7 and a molecular weight of 502.53 g/mol. Its IUPAC name is 3-[(2S)-3-[3-[(2S)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-2-oxobenzimidazol-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[(2S)-3-[3-[(2S)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-2-oxobenzimidazol-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 40593052
• Molecular Formula: C23H30N6O7
• Molecular Weight: 502.53 g/mol
• Exact Mass: 502.22
• IUPAC Name: 3-[(2S)-3-[3-[(2S)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-2-oxobenzimidazol-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
• SMILES: CC1(C)NC(=O)N(C[C@@H](O)Cn2c(=O)n(C[C@H](O)CN3C(=O)NC(C)(C)C3=O)c3ccccc32)C1=O
• InChI: InChI=1S/C23H30N6O7/c1-22(2)17(32)28(19(34)24-22)11-13(30)9-26-15-7-5-6-8-16(15)27(21(26)36)10-14(31)12-29-18(33)23(3,4)25-20(29)35/h5-8,13-14,30-31H,9-12H2,1-4H3,(H,24,34)(H,25,35)/t13-,14-/m0/s1
• InChIKey: DZPHTBMJLICIJV-KBPBESRZSA-N
• XLogP: -0.81
• TPSA: 166.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.53
LogP ≤ 5	-0.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-3-[3-[(2S)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-2-oxobenzimidazol-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?

The IUPAC name of 3-[(2S)-3-[3-[(2S)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-2-oxobenzimidazol-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (CID 40593052) is 3-[(2S)-3-[3-[(2S)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-2-oxobenzimidazol-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.

What is the SMILES notation for 3-[(2S)-3-[3-[(2S)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-2-oxobenzimidazol-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?

The canonical SMILES for 3-[(2S)-3-[3-[(2S)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-2-oxobenzimidazol-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(C[C@@H](O)Cn2c(=O)n(C[C@H](O)CN3C(=O)NC(C)(C)C3=O)c3ccccc32)C1=O.

What is the InChIKey of 3-[(2S)-3-[3-[(2S)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-2-oxobenzimidazol-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?

The InChIKey is DZPHTBMJLICIJV-KBPBESRZSA-N. The full InChI is InChI=1S/C23H30N6O7/c1-22(2)17(32)28(19(34)24-22)11-13(30)9-26-15-7-5-6-8-16(15)27(21(26)36)10-14(31)12-29-18(33)23(3,4)25-20(29)35/h5-8,13-14,30-31H,9-12H2,1-4H3,(H,24,34)(H,25,35)/t13-,14-/m0/s1.

What are the key properties of 3-[(2S)-3-[3-[(2S)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-2-oxobenzimidazol-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?

3-[(2S)-3-[3-[(2S)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-2-oxobenzimidazol-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 502.53 g/mol, XLogP of -0.81, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2S)-3-[3-[(2S)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-2-oxobenzimidazol-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 40593052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).