5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]imidazolidine-2,4-dione

C18H19Cl2N3O4 — CID 156822874

About 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]imidazolidine-2,4-dione

5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 156822874) has the molecular formula C18H19Cl2N3O4 and a molecular weight of 412.27 g/mol. Its IUPAC name is 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]imidazolidine-2,4-dione
• PubChem CID: 156822874
• Molecular Formula: C18H19Cl2N3O4
• Molecular Weight: 412.27 g/mol
• Exact Mass: 411.08
• IUPAC Name: 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]imidazolidine-2,4-dione
• SMILES: O=C1NC(=O)C(CC(CO)C(=O)N2Cc3cc(Cl)c(Cl)cc3C2)(C2CC2)N1
• InChI: InChI=1S/C18H19Cl2N3O4/c19-13-3-9-6-23(7-10(9)4-14(13)20)15(25)11(8-24)5-18(12-1-2-12)16(26)21-17(27)22-18/h3-4,11-12,24H,1-2,5-8H2,(H2,21,22,26,27)
• InChIKey: UKSOPPJLMFZIFG-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 98.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.27
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]imidazolidine-2,4-dione?

The IUPAC name of 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]imidazolidine-2,4-dione (CID 156822874) is 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CC(CO)C(=O)N2Cc3cc(Cl)c(Cl)cc3C2)(C2CC2)N1.

What is the InChIKey of 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]imidazolidine-2,4-dione?

The InChIKey is UKSOPPJLMFZIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O4/c19-13-3-9-6-23(7-10(9)4-14(13)20)15(25)11(8-24)5-18(12-1-2-12)16(26)21-17(27)22-18/h3-4,11-12,24H,1-2,5-8H2,(H2,21,22,26,27).

What are the key properties of 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]imidazolidine-2,4-dione?

5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 412.27 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 156822874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).