(5R)-5-methyl-5-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione

C21H25N4O2+ — CID 2641564

IUPAC(5R)-5-methyl-5-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione
SMILESC[C@]1(c2ccccc2)NC(=O)N(C[NH+]2CCN(c3ccccc3)CC2)C1=O
InChIInChI=1S/C21H24N4O2/c1-21(17-8-4-2-5-9-17)19(26)25(20(27)22-21)16-23-12-14-24(15-13-23)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H,22,27)/p+1/t21-/m1/s1
InChIKeyRKWVDQIZFWSLFP-OAQYLSRUSA-O
MW365.46 g/mol
LogP0.82
Rot. Bonds4

About (5R)-5-methyl-5-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione

(5R)-5-methyl-5-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione (PubChem CID 2641564) has the molecular formula C21H25N4O2+ and a molecular weight of 365.46 g/mol. Its IUPAC name is (5R)-5-methyl-5-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-5-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione
PubChem CID2641564
Molecular FormulaC21H25N4O2+
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC Name(5R)-5-methyl-5-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione
SMILESC[C@]1(c2ccccc2)NC(=O)N(C[NH+]2CCN(c3ccccc3)CC2)C1=O
InChIInChI=1S/C21H24N4O2/c1-21(17-8-4-2-5-9-17)19(26)25(20(27)22-21)16-23-12-14-24(15-13-23)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H,22,27)/p+1/t21-/m1/s1
InChIKeyRKWVDQIZFWSLFP-OAQYLSRUSA-O
XLogP0.82
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455632
(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione
CID 2575611
(5S)-5-(3-methoxyphenyl)-5-methyl-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione
CID 9280265
(5S)-3-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 9320017
(5R)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione
CID 9280627
(5R)-5-methyl-3-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 9171566
(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455635
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 42997995
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione
CID 9280770
methyl (2S)-4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]thiomorpholin-4-ium-2-carboxylate
CID 9233234
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337
(5S)-5-methyl-5-phenyl-3-[(2-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione
CID 52526860

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-5-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione (CID 2641564) is (5R)-5-methyl-5-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-5-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-5-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione is C[C@]1(c2ccccc2)NC(=O)N(C[NH+]2CCN(c3ccccc3)CC2)C1=O.
What is the InChIKey of (5R)-5-methyl-5-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is RKWVDQIZFWSLFP-OAQYLSRUSA-O. The full InChI is InChI=1S/C21H24N4O2/c1-21(17-8-4-2-5-9-17)19(26)25(20(27)22-21)16-23-12-14-24(15-13-23)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H,22,27)/p+1/t21-/m1/s1.
What are the key properties of (5R)-5-methyl-5-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-methyl-5-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 365.46 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 2641564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).