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

C15H16N2O3 — CID 117433485

IUPAC1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxylic acid
SMILESCc1c[nH]c(=O)n1-c1ccccc1C1(C(=O)O)CCC1
InChIInChI=1S/C15H16N2O3/c1-10-9-16-14(20)17(10)12-6-3-2-5-11(12)15(13(18)19)7-4-8-15/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyCJCDGDAYOJNEIC-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.98
Rot. Bonds3

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

1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxylic acid (PubChem CID 117433485) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxylic acid
PubChem CID117433485
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxylic acid
SMILESCc1c[nH]c(=O)n1-c1ccccc1C1(C(=O)O)CCC1
InChIInChI=1S/C15H16N2O3/c1-10-9-16-14(20)17(10)12-6-3-2-5-11(12)15(13(18)19)7-4-8-15/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyCJCDGDAYOJNEIC-UHFFFAOYSA-N
XLogP1.98
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117461839
1-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117487174
1-(2-iodophenyl)cyclobutane-1-carboxylic acid
CID 86712326
1-(2,5-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 82609045
1-(2-chloro-3,6-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 84799391
1-(3,5-dimethylphenyl)-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxamide
CID 71882904
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 82620047
1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid
CID 117114147
1-(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)cyclobutane-1-carboxylic acid
CID 117401867
1-(2-aminophenyl)cyclohexane-1-carboxylic acid
CID 106702481

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxylic acid (CID 117433485) is 1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxylic acid is Cc1c[nH]c(=O)n1-c1ccccc1C1(C(=O)O)CCC1.
What is the InChIKey of 1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxylic acid?
The InChIKey is CJCDGDAYOJNEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-9-16-14(20)17(10)12-6-3-2-5-11(12)15(13(18)19)7-4-8-15/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxylic acid?
1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117433485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).