(5R)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione

C21H21ClN2O5 — CID 7489664

IUPAC(5R)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2ccc(OC)c(Cl)c2)C1=O
InChIInChI=1S/C21H21ClN2O5/c1-4-21(14-6-8-15(28-2)9-7-14)19(26)24(20(27)23-21)12-17(25)13-5-10-18(29-3)16(22)11-13/h5-11H,4,12H2,1-3H3,(H,23,27)/t21-/m1/s1
InChIKeyTYMBNVWJEWTFCW-OAQYLSRUSA-N
MW416.86 g/mol
LogP3.40
Rot. Bonds7

About (5R)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione

(5R)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione (PubChem CID 7489664) has the molecular formula C21H21ClN2O5 and a molecular weight of 416.86 g/mol. Its IUPAC name is (5R)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
PubChem CID7489664
Molecular FormulaC21H21ClN2O5
Molecular Weight416.86 g/mol
Exact Mass416.11
IUPAC Name(5R)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2ccc(OC)c(Cl)c2)C1=O
InChIInChI=1S/C21H21ClN2O5/c1-4-21(14-6-8-15(28-2)9-7-14)19(26)24(20(27)23-21)12-17(25)13-5-10-18(29-3)16(22)11-13/h5-11H,4,12H2,1-3H3,(H,23,27)/t21-/m1/s1
InChIKeyTYMBNVWJEWTFCW-OAQYLSRUSA-N
XLogP3.40
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.86
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7595570
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione
CID 7595526
3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 43031032
(5R)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7630821
(5S)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7489679
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2584670
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 30362342
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 55398401
(5R)-5-(4-chlorophenyl)-5-ethyl-3-phenacylimidazolidine-2,4-dione
CID 2680959
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide
CID 8565898
2-[(4R)-4-(2,5-dimethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 94752273
(5S)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 8521765

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione (CID 7489664) is (5R)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione is CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2ccc(OC)c(Cl)c2)C1=O.
What is the InChIKey of (5R)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is TYMBNVWJEWTFCW-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H21ClN2O5/c1-4-21(14-6-8-15(28-2)9-7-14)19(26)24(20(27)23-21)12-17(25)13-5-10-18(29-3)16(22)11-13/h5-11H,4,12H2,1-3H3,(H,23,27)/t21-/m1/s1.
What are the key properties of (5R)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
(5R)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 416.86 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7489664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).