methyl 2-[3-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate

C30H33N5O5 — CID 44586482

IUPACmethyl 2-[3-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccn3)CC2)C(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C30H33N5O5/c1-40-27(37)22-34-28(38)30(23-10-4-2-5-11-23,24-12-6-3-7-13-24)35(29(34)39)21-25(36)20-32-16-18-33(19-17-32)26-14-8-9-15-31-26/h2-15,25,36H,16-22H2,1H3
InChIKeyDLACXXVRAFWEPC-UHFFFAOYSA-N
MW543.62 g/mol
LogP1.95
Rot. Bonds9

About methyl 2-[3-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate

methyl 2-[3-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate (PubChem CID 44586482) has the molecular formula C30H33N5O5 and a molecular weight of 543.62 g/mol. Its IUPAC name is methyl 2-[3-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate
PubChem CID44586482
Molecular FormulaC30H33N5O5
Molecular Weight543.62 g/mol
Exact Mass543.25
IUPAC Namemethyl 2-[3-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccn3)CC2)C(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C30H33N5O5/c1-40-27(37)22-34-28(38)30(23-10-4-2-5-11-23,24-12-6-3-7-13-24)35(29(34)39)21-25(36)20-32-16-18-33(19-17-32)26-14-8-9-15-31-26/h2-15,25,36H,16-22H2,1H3
InChIKeyDLACXXVRAFWEPC-UHFFFAOYSA-N
XLogP1.95
TPSA106.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.62
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate?
The IUPAC name of methyl 2-[3-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate (CID 44586482) is methyl 2-[3-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate is COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccn3)CC2)C(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of methyl 2-[3-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate?
The InChIKey is DLACXXVRAFWEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O5/c1-40-27(37)22-34-28(38)30(23-10-4-2-5-11-23,24-12-6-3-7-13-24)35(29(34)39)21-25(36)20-32-16-18-33(19-17-32)26-14-8-9-15-31-26/h2-15,25,36H,16-22H2,1H3.
What are the key properties of methyl 2-[3-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate?
methyl 2-[3-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate has a molecular weight of 543.62 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate is sourced from PubChem (CID 44586482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).