2-[4-(4-methoxy-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid

C14H16N2O5 — CID 75532099

IUPAC2-[4-(4-methoxy-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)O)C2=O)cc1C
InChIInChI=1S/C14H16N2O5/c1-8-6-9(4-5-10(8)21-3)14(2)12(19)16(7-11(17)18)13(20)15-14/h4-6H,7H2,1-3H3,(H,15,20)(H,17,18)
InChIKeyQIXCSZSNMUMSOG-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.86
Rot. Bonds4

About 2-[4-(4-methoxy-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid

2-[4-(4-methoxy-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 75532099) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[4-(4-methoxy-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methoxy-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID75532099
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name2-[4-(4-methoxy-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)O)C2=O)cc1C
InChIInChI=1S/C14H16N2O5/c1-8-6-9(4-5-10(8)21-3)14(2)12(19)16(7-11(17)18)13(20)15-14/h4-6H,7H2,1-3H3,(H,15,20)(H,17,18)
InChIKeyQIXCSZSNMUMSOG-UHFFFAOYSA-N
XLogP0.86
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.86
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

2-[(4R)-4-(4-chloro-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 94752282
5-(3,4-dimethoxyphenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
CID 42915163
N-(5-chloro-2-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40987053
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2500302
2-[(4S)-4-(4-aminophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 70246600
2-[(4R)-4-(4-aminophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 70246599
(5S)-5-(3,4-dimethoxyphenyl)-3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7872893
2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 18774902
2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 2612679
2-[4-(3-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 43134914
2-[(4S)-4-(3-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 93239430
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 18099222

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-methoxy-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 75532099) is 2-[4-(4-methoxy-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-methoxy-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-methoxy-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid is COc1ccc(C2(C)NC(=O)N(CC(=O)O)C2=O)cc1C.
What is the InChIKey of 2-[4-(4-methoxy-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is QIXCSZSNMUMSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-8-6-9(4-5-10(8)21-3)14(2)12(19)16(7-11(17)18)13(20)15-14/h4-6H,7H2,1-3H3,(H,15,20)(H,17,18).
What are the key properties of 2-[4-(4-methoxy-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[4-(4-methoxy-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 292.29 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 75532099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).