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

C17H14ClN3O4 — CID 166398691

IUPAC2-[4-[4-(2-chloro-3-pyridinyl)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCC1(c2ccc(-c3cccnc3Cl)cc2)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C17H14ClN3O4/c1-17(15(24)21(9-13(22)23)16(25)20-17)11-6-4-10(5-7-11)12-3-2-8-19-14(12)18/h2-8H,9H2,1H3,(H,20,25)(H,22,23)
InChIKeyWQUQJRJMAXAJBQ-UHFFFAOYSA-N
MW359.77 g/mol
LogP2.25
Rot. Bonds4

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

2-[4-[4-(2-chloro-3-pyridinyl)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 166398691) has the molecular formula C17H14ClN3O4 and a molecular weight of 359.77 g/mol. Its IUPAC name is 2-[4-[4-(2-chloro-3-pyridinyl)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(2-chloro-3-pyridinyl)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID166398691
Molecular FormulaC17H14ClN3O4
Molecular Weight359.77 g/mol
Exact Mass359.07
IUPAC Name2-[4-[4-(2-chloro-3-pyridinyl)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCC1(c2ccc(-c3cccnc3Cl)cc2)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C17H14ClN3O4/c1-17(15(24)21(9-13(22)23)16(25)20-17)11-6-4-10(5-7-11)12-3-2-8-19-14(12)18/h2-8H,9H2,1H3,(H,20,25)(H,22,23)
InChIKeyWQUQJRJMAXAJBQ-UHFFFAOYSA-N
XLogP2.25
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
CID 30054775
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
N-(2-chloro-3-pyridinyl)-2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46638569
2-[(4R)-4-(4-chloro-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 94752282
2-[(4S)-4-(3-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 93239430
2-[4-(3-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 43134914
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-2-pyridinyl)acetamide
CID 43016717
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 24819931
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-phenylacetamide
CID 2705880
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 8011862

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-chloro-3-pyridinyl)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[4-(2-chloro-3-pyridinyl)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 166398691) is 2-[4-[4-(2-chloro-3-pyridinyl)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[4-(2-chloro-3-pyridinyl)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[4-(2-chloro-3-pyridinyl)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid is CC1(c2ccc(-c3cccnc3Cl)cc2)NC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[4-[4-(2-chloro-3-pyridinyl)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is WQUQJRJMAXAJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4/c1-17(15(24)21(9-13(22)23)16(25)20-17)11-6-4-10(5-7-11)12-3-2-8-19-14(12)18/h2-8H,9H2,1H3,(H,20,25)(H,22,23).
What are the key properties of 2-[4-[4-(2-chloro-3-pyridinyl)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[4-[4-(2-chloro-3-pyridinyl)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 359.77 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-chloro-3-pyridinyl)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 166398691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).