(5S)-3-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

C24H30N3O4+ — CID 11938559

IUPAC(5S)-3-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(C[NH+]2CCC[C@@H]2c2cc(OC)ccc2OC)C1=O
InChIInChI=1S/C24H29N3O4/c1-4-24(17-9-6-5-7-10-17)22(28)27(23(29)25-24)16-26-14-8-11-20(26)19-15-18(30-2)12-13-21(19)31-3/h5-7,9-10,12-13,15,20H,4,8,11,14,16H2,1-3H3,(H,25,29)/p+1/t20-,24+/m1/s1
InChIKeyUDMVEVWNRBAYMW-YKSBVNFPSA-O
MW424.52 g/mol
LogP2.24
Rot. Bonds7

About (5S)-3-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

(5S)-3-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (PubChem CID 11938559) has the molecular formula C24H30N3O4+ and a molecular weight of 424.52 g/mol. Its IUPAC name is (5S)-3-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
PubChem CID11938559
Molecular FormulaC24H30N3O4+
Molecular Weight424.52 g/mol
Exact Mass424.22
IUPAC Name(5S)-3-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(C[NH+]2CCC[C@@H]2c2cc(OC)ccc2OC)C1=O
InChIInChI=1S/C24H29N3O4/c1-4-24(17-9-6-5-7-10-17)22(28)27(23(29)25-24)16-26-14-8-11-20(26)19-15-18(30-2)12-13-21(19)31-3/h5-7,9-10,12-13,15,20H,4,8,11,14,16H2,1-3H3,(H,25,29)/p+1/t20-,24+/m1/s1
InChIKeyUDMVEVWNRBAYMW-YKSBVNFPSA-O
XLogP2.24
TPSA72.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9285285
2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]isoindole-1,3-dione
CID 9285221
(5S,9S)-3-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 11944302
1-benzyl-3-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione
CID 9285347
1-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]indole-2,3-dione
CID 9285207
1-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-3-propylimidazolidine-2,4,5-trione
CID 9285421
3-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9285479
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 46614987
(5R)-5-ethyl-3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 9325338
(5S)-5-benzyl-3-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 26008911
1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-3-ethylimidazolidine-2,4,5-trione
CID 9285575
(5S)-3-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8571287

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (CID 11938559) is (5S)-3-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is CC[C@@]1(c2ccccc2)NC(=O)N(C[NH+]2CCC[C@@H]2c2cc(OC)ccc2OC)C1=O.
What is the InChIKey of (5S)-3-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is UDMVEVWNRBAYMW-YKSBVNFPSA-O. The full InChI is InChI=1S/C24H29N3O4/c1-4-24(17-9-6-5-7-10-17)22(28)27(23(29)25-24)16-26-14-8-11-20(26)19-15-18(30-2)12-13-21(19)31-3/h5-7,9-10,12-13,15,20H,4,8,11,14,16H2,1-3H3,(H,25,29)/p+1/t20-,24+/m1/s1.
What are the key properties of (5S)-3-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
(5S)-3-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 424.52 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 11938559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).