4-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]butanoic acid

C14H16N2O3 — CID 117404662

IUPAC4-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]butanoic acid
SMILESCc1c[nH]c(=O)n1-c1ccccc1CCCC(=O)O
InChIInChI=1S/C14H16N2O3/c1-10-9-15-14(19)16(10)12-7-3-2-5-11(12)6-4-8-13(17)18/h2-3,5,7,9H,4,6,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyHBFKKRTWVBBENG-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.88
Rot. Bonds5

About 4-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]butanoic acid

4-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]butanoic acid (PubChem CID 117404662) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]butanoic acid
PubChem CID117404662
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]butanoic acid
SMILESCc1c[nH]c(=O)n1-c1ccccc1CCCC(=O)O
InChIInChI=1S/C14H16N2O3/c1-10-9-15-14(19)16(10)12-7-3-2-5-11(12)6-4-8-13(17)18/h2-3,5,7,9H,4,6,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyHBFKKRTWVBBENG-UHFFFAOYSA-N
XLogP1.88
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(1-aminocyclopropyl)methyl]phenyl]-4-methyl-1H-imidazol-2-one
CID 117360233
4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
CID 117410285
4-[2-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid
CID 117336300
1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117433485
1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
CID 56553421
3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid
CID 107273661
4-(2-fluoro-3-methylphenyl)butanoic acid
CID 83698983
4-(2-propan-2-ylphenyl)butanoic acid
CID 58591852
3-[2-(3-ethylazetidin-1-yl)phenyl]propanoic acid
CID 107274220
3-[2-(2,5-dioxoimidazolidin-1-yl)phenyl]propanoic acid
CID 114007858
4-[2-(3-methoxy-3-oxopropyl)phenyl]butanoic acid
CID 18944108
4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid
CID 138459303

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]butanoic acid?
The IUPAC name of 4-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]butanoic acid (CID 117404662) is 4-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]butanoic acid.
What is the SMILES notation for 4-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]butanoic acid?
The canonical SMILES for 4-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]butanoic acid is Cc1c[nH]c(=O)n1-c1ccccc1CCCC(=O)O.
What is the InChIKey of 4-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]butanoic acid?
The InChIKey is HBFKKRTWVBBENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-9-15-14(19)16(10)12-7-3-2-5-11(12)6-4-8-13(17)18/h2-3,5,7,9H,4,6,8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]butanoic acid?
4-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]butanoic acid has a molecular weight of 260.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]butanoic acid is sourced from PubChem (CID 117404662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).