2-hydroxy-2-[4-(1-methylimidazol-2-yl)phenyl]acetic acid

C12H12N2O3 — CID 117335940

IUPAC2-hydroxy-2-[4-(1-methylimidazol-2-yl)phenyl]acetic acid
SMILESCn1ccnc1-c1ccc(C(O)C(=O)O)cc1
InChIInChI=1S/C12H12N2O3/c1-14-7-6-13-11(14)9-4-2-8(3-5-9)10(15)12(16)17/h2-7,10,15H,1H3,(H,16,17)
InChIKeyOXKBRELRYLJNCN-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.21
Rot. Bonds3

About 2-hydroxy-2-[4-(1-methylimidazol-2-yl)phenyl]acetic acid

2-hydroxy-2-[4-(1-methylimidazol-2-yl)phenyl]acetic acid (PubChem CID 117335940) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-hydroxy-2-[4-(1-methylimidazol-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[4-(1-methylimidazol-2-yl)phenyl]acetic acid
PubChem CID117335940
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-hydroxy-2-[4-(1-methylimidazol-2-yl)phenyl]acetic acid
SMILESCn1ccnc1-c1ccc(C(O)C(=O)O)cc1
InChIInChI=1S/C12H12N2O3/c1-14-7-6-13-11(14)9-4-2-8(3-5-9)10(15)12(16)17/h2-7,10,15H,1H3,(H,16,17)
InChIKeyOXKBRELRYLJNCN-UHFFFAOYSA-N
XLogP1.21
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid
CID 117332408
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
4-(1-methylimidazol-2-yl)benzoic acid
CID 23009409
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
2-amino-3-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid
CID 117365060
ethane;1-methyl-2-phenylimidazole
CID 142155183
2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid
CID 136886155
5-(1-methylimidazol-2-yl)benzene-1,3-dicarboxylic acid
CID 68746117
2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid
CID 117310612
2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride
CID 172811429
2-methyl-3-[2-(1-methylimidazol-2-yl)phenyl]propanoic acid
CID 117362627
2-(4-chloro-3-methylphenyl)-1-methylimidazole
CID 172691387

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[4-(1-methylimidazol-2-yl)phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[4-(1-methylimidazol-2-yl)phenyl]acetic acid (CID 117335940) is 2-hydroxy-2-[4-(1-methylimidazol-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[4-(1-methylimidazol-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[4-(1-methylimidazol-2-yl)phenyl]acetic acid is Cn1ccnc1-c1ccc(C(O)C(=O)O)cc1.
What is the InChIKey of 2-hydroxy-2-[4-(1-methylimidazol-2-yl)phenyl]acetic acid?
The InChIKey is OXKBRELRYLJNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-14-7-6-13-11(14)9-4-2-8(3-5-9)10(15)12(16)17/h2-7,10,15H,1H3,(H,16,17).
What are the key properties of 2-hydroxy-2-[4-(1-methylimidazol-2-yl)phenyl]acetic acid?
2-hydroxy-2-[4-(1-methylimidazol-2-yl)phenyl]acetic acid has a molecular weight of 232.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[4-(1-methylimidazol-2-yl)phenyl]acetic acid is sourced from PubChem (CID 117335940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).