(5-chloro-2-methoxyphenyl)methyl-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium

C21H25ClN3O3+ — CID 9332428

IUPAC(5-chloro-2-methoxyphenyl)methyl-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium
SMILESCC[C@]1(c2ccccc2)NC(=O)N(C[NH+](C)Cc2cc(Cl)ccc2OC)C1=O
InChIInChI=1S/C21H24ClN3O3/c1-4-21(16-8-6-5-7-9-16)19(26)25(20(27)23-21)14-24(2)13-15-12-17(22)10-11-18(15)28-3/h5-12H,4,13-14H2,1-3H3,(H,23,27)/p+1/t21-/m1/s1
InChIKeyRYBXHPBQUSTZEW-OAQYLSRUSA-O
MW402.90 g/mol
LogP2.18
Rot. Bonds7

About (5-chloro-2-methoxyphenyl)methyl-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium

(5-chloro-2-methoxyphenyl)methyl-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium (PubChem CID 9332428) has the molecular formula C21H25ClN3O3+ and a molecular weight of 402.90 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium
PubChem CID9332428
Molecular FormulaC21H25ClN3O3+
Molecular Weight402.90 g/mol
Exact Mass402.16
IUPAC Name(5-chloro-2-methoxyphenyl)methyl-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium
SMILESCC[C@]1(c2ccccc2)NC(=O)N(C[NH+](C)Cc2cc(Cl)ccc2OC)C1=O
InChIInChI=1S/C21H24ClN3O3/c1-4-21(16-8-6-5-7-9-16)19(26)25(20(27)23-21)14-24(2)13-15-12-17(22)10-11-18(15)28-3/h5-12H,4,13-14H2,1-3H3,(H,23,27)/p+1/t21-/m1/s1
InChIKeyRYBXHPBQUSTZEW-OAQYLSRUSA-O
XLogP2.18
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 52.18
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

(4,5-dimethoxy-2-methylphenyl)methyl-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium
CID 9234216
(5-chloro-2-methoxyphenyl)methyl-methyl-[[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9332435
(5R)-5-ethyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 42064162
5-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 51138980
(5-chloro-2-methoxyphenyl)methyl-methyl-[(5-oxo-4-phenyltetrazol-1-yl)methyl]azanium
CID 9332981
(5S)-3-[(3,4-dichlorophenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7242730
(5R)-5-(4-chlorophenyl)-5-ethyl-3-phenacylimidazolidine-2,4-dione
CID 2680959
3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 42911323
(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 8572162
3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 24576766
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(2-phenoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7595683
(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 (5-chloro-2-methoxyphenyl)methyl-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium (CID 9332428) is (5-chloro-2-methoxyphenyl)methyl-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium is CC[C@]1(c2ccccc2)NC(=O)N(C[NH+](C)Cc2cc(Cl)ccc2OC)C1=O.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium?
The InChIKey is RYBXHPBQUSTZEW-OAQYLSRUSA-O. The full InChI is InChI=1S/C21H24ClN3O3/c1-4-21(16-8-6-5-7-9-16)19(26)25(20(27)23-21)14-24(2)13-15-12-17(22)10-11-18(15)28-3/h5-12H,4,13-14H2,1-3H3,(H,23,27)/p+1/t21-/m1/s1.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium?
(5-chloro-2-methoxyphenyl)methyl-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium has a molecular weight of 402.90 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium is sourced from PubChem (CID 9332428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).