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

C13H13ClN2O4 — CID 94752282

IUPAC2-[(4R)-4-(4-chloro-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCc1cc([C@@]2(C)NC(=O)N(CC(=O)O)C2=O)ccc1Cl
InChIInChI=1S/C13H13ClN2O4/c1-7-5-8(3-4-9(7)14)13(2)11(19)16(6-10(17)18)12(20)15-13/h3-5H,6H2,1-2H3,(H,15,20)(H,17,18)/t13-/m1/s1
InChIKeyMRKFQXFXUIXRPC-CYBMUJFWSA-N
MW296.71 g/mol
LogP1.50
Rot. Bonds3

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

2-[(4R)-4-(4-chloro-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 94752282) has the molecular formula C13H13ClN2O4 and a molecular weight of 296.71 g/mol. Its IUPAC name is 2-[(4R)-4-(4-chloro-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R)-4-(4-chloro-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID94752282
Molecular FormulaC13H13ClN2O4
Molecular Weight296.71 g/mol
Exact Mass296.06
IUPAC Name2-[(4R)-4-(4-chloro-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCc1cc([C@@]2(C)NC(=O)N(CC(=O)O)C2=O)ccc1Cl
InChIInChI=1S/C13H13ClN2O4/c1-7-5-8(3-4-9(7)14)13(2)11(19)16(6-10(17)18)12(20)15-13/h3-5H,6H2,1-2H3,(H,15,20)(H,17,18)/t13-/m1/s1
InChIKeyMRKFQXFXUIXRPC-CYBMUJFWSA-N
XLogP1.50
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 51.50
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

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
2-[4-(4-methoxy-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 75532099
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
CID 30054775
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 46638763
2-[(4R)-4-(4-aminophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 70246599
2-[(4S)-4-(4-aminophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 70246600
3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 46638452
3-[2-(2-aminoethoxy)ethyl]-5-(4-chloro-3-methylphenyl)-5-methylimidazolidine-2,4-dione
CID 82148435
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 25323209
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 46638683
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 55434764

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(4-chloro-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[(4R)-4-(4-chloro-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 94752282) is 2-[(4R)-4-(4-chloro-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(4R)-4-(4-chloro-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(4R)-4-(4-chloro-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid is Cc1cc([C@@]2(C)NC(=O)N(CC(=O)O)C2=O)ccc1Cl.
What is the InChIKey of 2-[(4R)-4-(4-chloro-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is MRKFQXFXUIXRPC-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H13ClN2O4/c1-7-5-8(3-4-9(7)14)13(2)11(19)16(6-10(17)18)12(20)15-13/h3-5H,6H2,1-2H3,(H,15,20)(H,17,18)/t13-/m1/s1.
What are the key properties of 2-[(4R)-4-(4-chloro-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[(4R)-4-(4-chloro-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 296.71 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(4-chloro-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 94752282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).