(5R)-5-ethyl-3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenylimidazolidine-2,4-dione

C24H32N4O3+2 — CID 9325338

IUPAC(5R)-5-ethyl-3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(C[NH+]2CC[NH+](Cc3ccc(OC)cc3)CC2)C1=O
InChIInChI=1S/C24H30N4O3/c1-3-24(20-7-5-4-6-8-20)22(29)28(23(30)25-24)18-27-15-13-26(14-16-27)17-19-9-11-21(31-2)12-10-19/h4-12H,3,13-18H2,1-2H3,(H,25,30)/p+2/t24-/m1/s1
InChIKeyQISRWQXNCINZAR-XMMPIXPASA-P
MW424.55 g/mol
LogP-0.21
Rot. Bonds7

About (5R)-5-ethyl-3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenylimidazolidine-2,4-dione

(5R)-5-ethyl-3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 9325338) has the molecular formula C24H32N4O3+2 and a molecular weight of 424.55 g/mol. Its IUPAC name is (5R)-5-ethyl-3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID9325338
Molecular FormulaC24H32N4O3+2
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name(5R)-5-ethyl-3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(C[NH+]2CC[NH+](Cc3ccc(OC)cc3)CC2)C1=O
InChIInChI=1S/C24H30N4O3/c1-3-24(20-7-5-4-6-8-20)22(29)28(23(30)25-24)18-27-15-13-26(14-16-27)17-19-9-11-21(31-2)12-10-19/h4-12H,3,13-18H2,1-2H3,(H,25,30)/p+2/t24-/m1/s1
InChIKeyQISRWQXNCINZAR-XMMPIXPASA-P
XLogP-0.21
TPSA67.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 16577306
(5S)-3-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 11938559
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione
CID 7595526
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(2-phenoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7595683
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7595658
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7595657
(5R)-5-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7595608
(5R)-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455632
5-ethyl-5-phenyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529154
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 7595682
(5S)-3-[(3,4-dichlorophenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7242730
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 30362342

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenylimidazolidine-2,4-dione (CID 9325338) is (5R)-5-ethyl-3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenylimidazolidine-2,4-dione is CC[C@]1(c2ccccc2)NC(=O)N(C[NH+]2CC[NH+](Cc3ccc(OC)cc3)CC2)C1=O.
What is the InChIKey of (5R)-5-ethyl-3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is QISRWQXNCINZAR-XMMPIXPASA-P. The full InChI is InChI=1S/C24H30N4O3/c1-3-24(20-7-5-4-6-8-20)22(29)28(23(30)25-24)18-27-15-13-26(14-16-27)17-19-9-11-21(31-2)12-10-19/h4-12H,3,13-18H2,1-2H3,(H,25,30)/p+2/t24-/m1/s1.
What are the key properties of (5R)-5-ethyl-3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenylimidazolidine-2,4-dione?
(5R)-5-ethyl-3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 424.55 g/mol, XLogP of -0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 9325338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).