ethyl 4-(4-chlorophenyl)-6-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C23H29ClN4O5 — CID 43022362

About ethyl 4-(4-chlorophenyl)-6-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 4-(4-chlorophenyl)-6-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 43022362) has the molecular formula C23H29ClN4O5 and a molecular weight of 476.96 g/mol. Its IUPAC name is ethyl 4-(4-chlorophenyl)-6-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-(4-chlorophenyl)-6-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 43022362
• Molecular Formula: C23H29ClN4O5
• Molecular Weight: 476.96 g/mol
• Exact Mass: 476.18
• IUPAC Name: ethyl 4-(4-chlorophenyl)-6-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: CCCC1(CCC)NC(=O)N(CC2=C(C(=O)OCC)C(c3ccc(Cl)cc3)NC(=O)N2)C1=O
• InChI: InChI=1S/C23H29ClN4O5/c1-4-11-23(12-5-2)20(30)28(22(32)27-23)13-16-17(19(29)33-6-3)18(26-21(31)25-16)14-7-9-15(24)10-8-14/h7-10,18H,4-6,11-13H2,1-3H3,(H,27,32)(H2,25,26,31)
• InChIKey: VGDLZJODAMIDDH-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 116.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.96
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chlorophenyl)-6-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of ethyl 4-(4-chlorophenyl)-6-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 43022362) is ethyl 4-(4-chlorophenyl)-6-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for ethyl 4-(4-chlorophenyl)-6-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for ethyl 4-(4-chlorophenyl)-6-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCCC1(CCC)NC(=O)N(CC2=C(C(=O)OCC)C(c3ccc(Cl)cc3)NC(=O)N2)C1=O.

What is the InChIKey of ethyl 4-(4-chlorophenyl)-6-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is VGDLZJODAMIDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O5/c1-4-11-23(12-5-2)20(30)28(22(32)27-23)13-16-17(19(29)33-6-3)18(26-21(31)25-16)14-7-9-15(24)10-8-14/h7-10,18H,4-6,11-13H2,1-3H3,(H,27,32)(H2,25,26,31).

What are the key properties of ethyl 4-(4-chlorophenyl)-6-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

ethyl 4-(4-chlorophenyl)-6-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 476.96 g/mol, XLogP of 3.40, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-(4-chlorophenyl)-6-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 43022362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).