(5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

C20H19FN2O5 — CID 52529593

IUPAC(5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1OC
InChIInChI=1S/C20H19FN2O5/c1-20(13-5-7-14(21)8-6-13)18(25)23(19(26)22-20)11-15(24)12-4-9-16(27-2)17(10-12)28-3/h4-10H,11H2,1-3H3,(H,22,26)/t20-/m0/s1
InChIKeyPDVDYAYBMKXZMK-FQEVSTJZSA-N
MW386.38 g/mol
LogP2.49
Rot. Bonds6

About (5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

(5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 52529593) has the molecular formula C20H19FN2O5 and a molecular weight of 386.38 g/mol. Its IUPAC name is (5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID52529593
Molecular FormulaC20H19FN2O5
Molecular Weight386.38 g/mol
Exact Mass386.13
IUPAC Name(5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1OC
InChIInChI=1S/C20H19FN2O5/c1-20(13-5-7-14(21)8-6-13)18(25)23(19(26)22-20)11-15(24)12-4-9-16(27-2)17(10-12)28-3/h4-10H,11H2,1-3H3,(H,22,26)/t20-/m0/s1
InChIKeyPDVDYAYBMKXZMK-FQEVSTJZSA-N
XLogP2.49
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 52.49
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

3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 18099222
(5R)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7546173
(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7883923
5-(4-fluorophenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 17477743
(5S)-5-(3,4-dimethoxyphenyl)-3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7872893
(5S)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7489679
5-(4-chlorophenyl)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42897860
5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione
CID 51259389
(5R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7595570
N-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2620124
N-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 139000323
(5S)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180183

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (CID 52529593) is (5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is COc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1OC.
What is the InChIKey of (5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is PDVDYAYBMKXZMK-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19FN2O5/c1-20(13-5-7-14(21)8-6-13)18(25)23(19(26)22-20)11-15(24)12-4-9-16(27-2)17(10-12)28-3/h4-10H,11H2,1-3H3,(H,22,26)/t20-/m0/s1.
What are the key properties of (5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 386.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 52529593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).