4-(4-butyl-2,5-dioxoimidazolidin-4-yl)benzoic acid

C14H16N2O4 — CID 54049258

IUPAC4-(4-butyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
SMILESCCCCC1(c2ccc(C(=O)O)cc2)NC(=O)NC1=O
InChIInChI=1S/C14H16N2O4/c1-2-3-8-14(12(19)15-13(20)16-14)10-6-4-9(5-7-10)11(17)18/h4-7H,2-3,8H2,1H3,(H,17,18)(H2,15,16,19,20)
InChIKeyLRSWFLXPFBJIBC-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.61
Rot. Bonds5

About 4-(4-butyl-2,5-dioxoimidazolidin-4-yl)benzoic acid

4-(4-butyl-2,5-dioxoimidazolidin-4-yl)benzoic acid (PubChem CID 54049258) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-(4-butyl-2,5-dioxoimidazolidin-4-yl)benzoic acid.

Molecular Properties

Compound Name4-(4-butyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
PubChem CID54049258
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-(4-butyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
SMILESCCCCC1(c2ccc(C(=O)O)cc2)NC(=O)NC1=O
InChIInChI=1S/C14H16N2O4/c1-2-3-8-14(12(19)15-13(20)16-14)10-6-4-9(5-7-10)11(17)18/h4-7H,2-3,8H2,1H3,(H,17,18)(H2,15,16,19,20)
InChIKeyLRSWFLXPFBJIBC-UHFFFAOYSA-N
XLogP1.61
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione
CID 58437036
4-[4-(2-methoxypropan-2-yl)-2,5-dioxoimidazolidin-4-yl]benzoic acid
CID 134494415
5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 110677250
N-benzyl-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide
CID 110677217
propanoic acid;terephthalic acid
CID 158352815
(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622563
(5R)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622583
4-(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
CID 134494482
5-phenyl-5-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 117066351
4-(4-hexyl-1-bicyclo[2.2.2]octanyl)benzoic acid
CID 12947945
2-(diethylamino)-N-[4-(4-hexyl-2,5-dioxoimidazolidin-4-yl)-2,6-dimethylphenyl]acetamide
CID 46227827
5-(fluoromethyl)-5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134495102

Frequently Asked Questions

What is the IUPAC name of 4-(4-butyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
The IUPAC name of 4-(4-butyl-2,5-dioxoimidazolidin-4-yl)benzoic acid (CID 54049258) is 4-(4-butyl-2,5-dioxoimidazolidin-4-yl)benzoic acid.
What is the SMILES notation for 4-(4-butyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
The canonical SMILES for 4-(4-butyl-2,5-dioxoimidazolidin-4-yl)benzoic acid is CCCCC1(c2ccc(C(=O)O)cc2)NC(=O)NC1=O.
What is the InChIKey of 4-(4-butyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
The InChIKey is LRSWFLXPFBJIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-3-8-14(12(19)15-13(20)16-14)10-6-4-9(5-7-10)11(17)18/h4-7H,2-3,8H2,1H3,(H,17,18)(H2,15,16,19,20).
What are the key properties of 4-(4-butyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
4-(4-butyl-2,5-dioxoimidazolidin-4-yl)benzoic acid has a molecular weight of 276.29 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butyl-2,5-dioxoimidazolidin-4-yl)benzoic acid is sourced from PubChem (CID 54049258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).