(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

C21H22N2O4 — CID 2530515

IUPAC(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(C(C)=O)cc1CN1C(=O)[C@@H](C)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C21H22N2O4/c1-13-5-8-18(9-6-13)23-14(2)20(25)22(21(23)26)12-17-11-16(15(3)24)7-10-19(17)27-4/h5-11,14H,12H2,1-4H3/t14-/m1/s1
InChIKeyRRXQGLXKKKTTQB-CQSZACIVSA-N
MW366.42 g/mol
LogP3.56
Rot. Bonds5

About (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 2530515) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID2530515
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(C(C)=O)cc1CN1C(=O)[C@@H](C)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C21H22N2O4/c1-13-5-8-18(9-6-13)23-14(2)20(25)22(21(23)26)12-17-11-16(15(3)24)7-10-19(17)27-4/h5-11,14H,12H2,1-4H3/t14-/m1/s1
InChIKeyRRXQGLXKKKTTQB-CQSZACIVSA-N
XLogP3.56
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79179153
(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2128781
N-(2,4-dimethoxyphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4878626
2-[(5-acetyl-2-methoxyphenyl)methyl]-5,6-dichloroisoindole-1,3-dione
CID 2648987
(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-cyclohexylimidazolidine-2,4-dione
CID 2694541
(5R)-5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-phenylphenyl)ethyl]imidazolidine-2,4-dione
CID 2470328
4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione
CID 66062368
N-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51639717
3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione
CID 51106612
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
1-[4-methoxy-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]ethanone
CID 8742968

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (CID 2530515) is (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is COc1ccc(C(C)=O)cc1CN1C(=O)[C@@H](C)N(c2ccc(C)cc2)C1=O.
What is the InChIKey of (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is RRXQGLXKKKTTQB-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13-5-8-18(9-6-13)23-14(2)20(25)22(21(23)26)12-17-11-16(15(3)24)7-10-19(17)27-4/h5-11,14H,12H2,1-4H3/t14-/m1/s1.
What are the key properties of (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 366.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2530515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).